UCSF

ZINC19865111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 30 Yes

CAS Number: 2362-45-0

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) 3.31 6.68 -61.86 2 8 -1 125 433.506 12

Activity (Go SEA)

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