UCSF

ZINC43592095

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 19 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) 2.24 7.37 -86.47 3 3 2 24 271.493 9
Mid Mid (pH 6-8) 2.24 7.92 -78.65 3 3 2 24 271.493 9

Activity (Go SEA)

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