UCSF

ZINC06725114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 30 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) 4.58 12.58 -11.47 1 4 0 49 416.546 5
Mid Mid (pH 6-8) 4.65 11.36 -44.95 2 4 1 55 417.554 5

Activity (Go SEA)

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