UCSF

ZINC62785023

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 21 Yes

Popular Name: (4R)-5-(5-chloro-2-cyano-phenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic (4R)-5-(5-chloro-2-cyano-phenyl)…

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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) 3.10 10.25 -55.57 0 4 -1 67 317.777 2 ↓

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

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