UCSF

ZINC01848481

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 12 Yes

Popular Name: 3-[(2-Chlorophenyl)amino]propanenitrile 3-[(2-Chlorophenyl)amino]propane…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 94-89-3 , [94-89-3]

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) 1.88 0.78 -7.33 1 2 0 35 180.638 3 ↓

Activity (Go SEA)

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