UCSF

ZINC13367846

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 28 Yes

CAS Number: 163391-76-2

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) 3.74 2.39 -11.65 3 5 0 79 385.504 0

Activity (Go SEA)

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