UCSF

ZINC36631435

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 13 Yes

Popular Name: (2S)-3-(3-chlorophenyl)-2-methyl-3-oxo-propanenitrile (2S)-3-(3-chlorophenyl)-2-methyl…

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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) 2.65 6.47 -14.52 0 2 0 41 193.633 2 ↓

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