UCSF

ZINC23069187

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 21 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) 0.66 6.49 -106.87 4 4 2 45 293.455 7
Hi High (pH 8-9.5) 0.66 4.18 -46.87 3 4 1 43 292.447 7
Hi High (pH 8-9.5) 0.66 3.89 -2.96 2 4 0 42 291.439 7
Mid Mid (pH 6-8) 0.66 5.81 -37.03 3 4 1 43 292.447 7
Mid Mid (pH 6-8) 0.66 6.09 -138.24 4 4 2 45 293.455 7

Activity (Go SEA)

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