UCSF

ZINC09043254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 38 No

Popular Name: 4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-5-(3-ethoxy-4-hydroxy-phenyl)-1-(3-pyridylmethyl)py 4-[(4-butoxy-2-methyl-phenyl)-hy…

Find On: PubMed — Wikipedia — Google

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) 4.13 9.69 -47.78 1 8 -1 112 515.586 11 ↓
Mid Mid (pH 6-8) 3.54 10.4 -14.34 1 8 0 106 516.594 11 ↓
Mid Mid (pH 6-8) 4.57 9.39 -12.74 2 8 0 109 516.594 10 ↓
Lo Low (pH 4.5-6) 4.13 10.2 -46.27 3 8 1 110 517.602 11 ↓
Lo Low (pH 4.5-6) 3.54 10.67 -51.69 2 8 1 107 517.602 11 ↓

Activity (Go SEA)

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