UCSF

ZINC44509201

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) -0.13 1.63 -42.35 5 5 1 85 235.311 4
Lo Low (pH 4.5-6) -0.13 1.98 -85.23 6 5 2 86 236.319 4

Activity (Go SEA)

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