UCSF

ZINC33351092

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2009 24 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) 4.62 10.47 -48.97 0 5 -1 74 337.38 3
Lo Low (pH 4.5-6) 0.39 10.86 -55.79 1 5 0 73 338.388 4

Activity (Go SEA)

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