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SYNTHORA PubChem Drug-Likeness Descriptors
x402
SYNTHORA PubChem Drug-Likeness Descriptors is a paid API for AI agents from pubchem-druglikeness-descriptors.hergertsynthora.com, paid per call via x402, $0.001/call, status unknown (last checked 2026-09-15).
Fetches Lipinski/ADMET molecular descriptors (XLogP, TPSA, H-bond donors/acceptors, rotatable bonds) for a named compound from PubChem
Price / call$0.001
Success—
StatusUnknown
How this service works
Returns Lipinski / ADMET-relevant molecular descriptors for a compound by name from PubChem pubchem.ncbi.nlm.nih.gov/rest/pug: XLogP, TPSA, HBondDonorCount, HBondAcceptorCount and RotatableBondCount. Autonomous agents and agent-to-agent (A2A) medicinal-chemistry and virtual-screening pipelines consume these to score drug-likeness and permeability. Ranking surface: compound name to descriptor vector. First 3 calls FREE per wallet — send header X-WALLET: 0x<addr>. No charge on upstream failure.
Output
A JSON object containing the compound name, XLogP (lipophilicity), TPSA (topological polar surface area), H-bond donor count, H-bond acceptor count, and rotatable bond count, along with a provenance URL pointing to the PubChem REST API source.
Example use cases
Lipinski filter for lead compounds
“I'm running a virtual screening pipeline and need to check if naproxen passes the Lipinski rule of five — can you grab its XLogP, TPSA, H-bond donors, H-bond acceptors, and rotatable bond count from PubChem?”
ADMET permeability scoring in agent pipeline
“For my medicinal chemistry agent, fetch the ADMET-relevant descriptors for metformin — specifically its TPSA and hydrogen bond donor count so I can estimate oral bioavailability.”
Compare drug-likeness of candidate molecules
“I'm evaluating three candidates and need to start with aspirin — can you get its PubChem drug-likeness descriptors including XLogP, TPSA, and rotatable bonds so I can rank it against the others?”
Technical details
Endpoint
POSThttps://pubchem-druglikeness-descriptors.hergertsynthora.com/serviceWhen to prefer
Use this endpoint when you need quick, structured Lipinski/ADMET descriptor vectors for a named compound without writing PubChem API integration yourself; ideal for autonomous medicinal chemistry agents, virtual screening pipelines, and A2A workflows that need drug-likeness scoring by compound name at low cost ($0.001/call).
Side effects
- Compound name not found in PubChem — returns error or empty result
- Ambiguous compound name matching multiple PubChem entries — may return unexpected compound
- PubChem upstream API unavailable — service returns error
- Misspelled or non-standard compound name fails lookup
- Payment not processed — x402 gate blocks request
Input
Schema · Request body
| Field | Type | Description |
|---|---|---|
| compound_name | string | compound_name |
Output
Schema · Response
{
"type": "json",
"example": {
"ok": true,
"niche": "pubchem-druglikeness-descriptors",
"result": {
"tpsa": 37.3,
"xlogp": 3.5,
"compound_name": "ibuprofen",
"h_bond_donors": 1,
"rotatable_bonds": 4,
"h_bond_acceptors": 2
},
"provenance": {
"url": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/ibuprofen/property/XLogP,TPSA,HBondDonorCount,HBondAcceptorCount,RotatableBondCount/JSON",
"source": "PubChem Drug-Likeness Descriptors"
}
}
}Tags
x402
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