UCSF

ZINC41702240

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 1.15 5.6 -61.7 1 5 -1 82 272.158 3
Lo Low (pH 4.5-6) 2.45 3.74 -37.39 2 5 0 84 273.166 3
Lo Low (pH 4.5-6) 2.45 4.34 -118.22 0 5 -2 85 271.15 3

Activity (Go SEA)

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