UCSF

ZINC29221621

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 22 No

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) -0.58 9.46 -28.53 0 3 1 12 295.406 4
Mid Mid (pH 6-8) -0.58 11.98 -103.91 1 3 2 14 296.414 4

Activity (Go SEA)

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