UCSF

ZINC00338225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 25 Yes

CAS Number: 85-64-3

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) 2.68 6.94 -50.42 2 5 1 52 344.431 5
Mid Mid (pH 6-8) 2.68 5.24 -10.73 1 5 0 51 343.423 5

Activity (Go SEA)

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