UCSF

ZINC01532640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 Yes

CAS Numbers: 50-70-4 , 60660-58-4 , 643-01-6 , 643-03-8 , [60660-58-4]

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) -3.10 -12.84 -11.05 6 6 0 121 182.172 5

Activity (Go SEA)

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