UCSF

ZINC17064677

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 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) -0.78 1.73 -16.7 2 8 0 114 251.198 2
Hi High (pH 8-9.5) 0.14 -0.84 -97 0 8 -2 120 249.182 2
Hi High (pH 8-9.5) -0.32 0.95 -35.64 1 8 -1 117 250.19 2
Mid Mid (pH 6-8) -0.32 0.95 -35.64 1 8 -1 117 250.19 2

Activity (Go SEA)

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