UCSF

ZINC33829831

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 29 Yes

CAS Number: 50-14-6

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) 7.42 13.68 -2.41 1 1 0 20 396.659 5

Activity (Go SEA)

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