UCSF

ZINC08818303

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 No

Popular Name: 4-[hydroxy-(4-methoxy-2-methyl-phenyl)-methylene]-1-(3-pyridylmethyl)-5-(3,4,5-trimethoxyphenyl)-pyr 4-[hydroxy-(4-methoxy-2-methyl-p…

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) 2.60 8.98 -59.86 0 9 -1 110 503.531 9 ↓
Mid Mid (pH 6-8) 2.02 0.49 -15.53 0 9 0 104 504.539 9 ↓
Lo Low (pH 4.5-6) 3.05 1.02 -46.21 2 9 1 108 505.547 8 ↓
Lo Low (pH 4.5-6) 2.02 0.58 -45.22 1 9 1 105 505.547 9 ↓
Lo Low (pH 4.5-6) 2.60 8.01 -17.54 1 9 0 107 504.539 9 ↓

Activity (Go SEA)

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