UCSF

ZINC40438722

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 17 Yes

Popular Name: [(3S)-1-thieno[3,2-c]pyridin-4-yl-3-piperidyl]methanol [(3S)-1-thieno[3,2-c]pyridin-4-y…

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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) 2.18 5.26 -29.33 2 3 1 38 249.359 2 ↓
Hi High (pH 8-9.5) 2.18 4.79 -7.69 1 3 0 36 248.351 2 ↓

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Rings

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

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