UCSF

ZINC33867552

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 20 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) 1.79 4.14 -37.54 3 4 1 46 277.388 6
Lo Low (pH 4.5-6) 1.79 5.11 -115.93 4 4 2 51 278.396 6

Activity (Go SEA)

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