UCSF

ZINC20075911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 12 Yes

Popular Name: 2-(Propylamino)benzonitrile 2-(Propylamino)benzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 74396-53-5 , [74396-53-5]

Other Names:

MFCD11155673

SH-5131

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) 2.38 5.25 -4.44 1 2 0 36 160.22 3 ↓

Activity (Go SEA)

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