UCSF

ZINC67754878

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 25 Yes

Popular Name: 2-[[(3S)-3-propoxy-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(3S)-3-propoxy-1-piperidyl]s…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 5.59 -92.86 2 7 0 103 388.511 6 ↓
Hi High (pH 8-9.5) 1.72 4.24 -67.28 1 7 -1 99 387.503 6 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.