UCSF

ZINC33533526

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 35 No

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) 3.61 12.57 -82.95 1 8 0 96 484.593 13
Lo Low (pH 4.5-6) 3.61 11.61 -56.5 2 8 1 94 485.601 13

Activity (Go SEA)

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