UCSF

ZINC40856346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 1.15 1.84 -49.85 5 5 1 86 250.322 4
Hi High (pH 8-9.5) 1.15 1.45 -13.03 4 5 0 84 249.314 4

Activity (Go SEA)

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