UCSF

ZINC43457220

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.46 4.43 -44.37 3 4 1 43 292.447 6
Hi High (pH 8-9.5) 1.46 5.68 -33.27 3 4 1 43 292.447 6
Mid Mid (pH 6-8) 1.46 6.06 -104.21 4 4 2 45 293.455 6
Mid Mid (pH 6-8) 1.46 6.25 -85.41 4 4 2 45 293.455 6

Activity (Go SEA)

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