UCSF

ZINC05335637

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 20 Yes

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) 1.30 4.71 -15.05 1 5 0 60 272.304 6
Lo Low (pH 4.5-6) 1.30 4.99 -47.87 2 5 1 62 273.312 6

Activity (Go SEA)

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