UCSF

ZINC34975771

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 12 Yes

Popular Name: (2R)-2-methyl-3-(5-methyl-2-thienyl)-3-oxo-propanenitrile (2R)-2-methyl-3-(5-methyl-2-thie…

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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) 2.11 5.9 -11.15 0 2 0 41 179.244 2 ↓

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