UCSF

ZINC05391072

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 15 Yes

CAS Numbers: 581-28-2 , [581-28-2]

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) 2.22 4.96 -8.74 2 2 0 39 194.237 0

Activity (Go SEA)

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