UCSF

ZINC34024456

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 30 Yes

CAS Number: 57333-96-7

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) 7.50 10.64 -3.71 2 2 0 40 414.674 6

Activity (Go SEA)

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