UCSF

ZINC34975754

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 Yes

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

Find On: PubMed — Wikipedia — Google

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) 2.78 6.58 -14.51 0 2 0 41 238.084 2 ↓

Activity (Go SEA)

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