UCSF

ZINC22173174

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 1.56 4.9 -110.18 4 3 2 35 229.412 6
Mid Mid (pH 6-8) 1.56 4.35 -118.2 4 3 2 35 229.412 6
Mid Mid (pH 6-8) 1.56 2.51 -42.77 3 3 1 34 228.404 6

Activity (Go SEA)

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