UCSF

ZINC33674936

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 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) 5.89 13.38 -37.35 0 4 -1 60 465.356 5
Lo Low (pH 4.5-6) 5.89 12.25 -14.76 1 4 0 58 466.364 5

Activity (Go SEA)

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