UCSF

ZINC71610052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 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) 0.47 8.07 -28.16 3 5 0 85 271.32 3
Lo Low (pH 4.5-6) 0.47 8.54 -72.94 4 5 1 87 272.328 3

Activity (Go SEA)

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