UCSF

ZINC62843710

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 19 Yes

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

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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 8.77 -55.6 1 4 0 58 276.361 2 ↓
Hi High (pH 8-9.5) 2.30 8.29 -52.4 0 4 -1 56 275.353 2 ↓

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Rings

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

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