UCSF

ZINC05267011

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 22 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) 3.37 9.84 -12.04 0 5 0 57 295.342 5
Lo Low (pH 4.5-6) 3.37 10.2 -27.6 1 5 1 58 296.35 5

Activity (Go SEA)

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