UCSF

ZINC41721373

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 1.63 4.32 -75.8 4 4 2 46 272.396 5
Hi High (pH 8-9.5) 1.63 3.89 -45.4 3 4 1 45 271.388 5
Lo Low (pH 4.5-6) 1.63 6.58 -174.39 5 4 3 47 273.404 5

Activity (Go SEA)

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