UCSF

ZINC06136549

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 34 No

Popular Name: 5-(4-allyloxyphenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dion 5-(4-allyloxyphenyl)-4-[hydroxy-…

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) 3.30 9.9 -63.54 0 7 -1 92 455.49 9 ↓
Mid Mid (pH 6-8) 3.74 0.2 -20.81 1 7 0 88 456.498 8 ↓
Lo Low (pH 4.5-6) 2.71 0.25 -26.86 0 7 0 85 456.498 9 ↓
Lo Low (pH 4.5-6) 3.74 0.69 -41.98 2 7 1 90 457.506 8 ↓

Activity (Go SEA)

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