UCSF

ZINC42461892

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.76 0.35 -1.85 2 3 0 38 198.31 1
Mid Mid (pH 6-8) 0.76 2.52 -104.96 4 3 2 41 200.326 1
Lo Low (pH 4.5-6) 0.76 2.39 -29.27 3 3 1 40 199.318 1

Activity (Go SEA)

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