UCSF

ZINC33589297

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 28 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) 0.84 8.51 -12.5 0 7 0 89 394.387 2
Lo Low (pH 4.5-6) 0.84 8.94 -40.57 1 7 1 90 395.395 2

Activity (Go SEA)

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