UCSF

ZINC05922474

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 32 Yes

Popular Name: 1-(2-cyanoethyl)-1-[4-(2-cyanoethyl-(phenylcarbamoyl)amino)butyl]-3-phenyl-urea 1-(2-cyanoethyl)-1-[4-(2-cyanoet…

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) 2.52 12.83 -22.79 2 8 0 112 432.528 11 ↓

Activity (Go SEA)

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