UCSF

ZINC42632766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 0.33 3.54 -43.02 2 6 1 63 250.326 4
Mid Mid (pH 6-8) 0.33 1.39 -10.36 1 6 0 61 249.318 4

Activity (Go SEA)

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