UCSF

ZINC35787441

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 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) 0.27 3.39 -3.52 2 3 0 38 248.37 4
Lo Low (pH 4.5-6) 0.27 5.9 -122.52 4 3 2 41 250.386 4
Lo Low (pH 4.5-6) 0.27 5.57 -37.48 3 3 1 40 249.378 4

Activity (Go SEA)

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