UCSF

ZINC01433288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 28 Yes

CAS Number: 188751-56-6

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) 3.04 0.85 -59.85 1 5 -1 78 378.448 5

Activity (Go SEA)

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