UCSF

ZINC16082915

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 17 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) 0.85 5.18 -4.47 2 3 0 46 295.18 1
Lo Low (pH 4.5-6) 0.85 5.49 -44.54 3 3 1 48 296.188 1

Activity (Go SEA)

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