UCSF

ZINC02291753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 33 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) 3.56 8.64 -20.5 3 8 0 108 441.491 7
Mid Mid (pH 6-8) 3.56 9.03 -32.54 4 8 1 109 442.499 7

Activity (Go SEA)

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