UCSF

ZINC62874560

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 19 Yes

Popular Name: (3S)-3-methyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3S)-3-methyl-1-thieno[3,2-c]pyr…

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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) 2.30 9.21 -54.21 1 4 0 58 276.361 2 ↓
Hi High (pH 8-9.5) 2.30 8.7 -49.44 0 4 -1 56 275.353 2 ↓

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

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