UCSF

ZINC09360571

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 33 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione 4-[(4-butoxyphenyl)-hydroxy-meth…

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) 3.37 11.09 -73.16 1 7 0 87 451.567 12 ↓
Hi High (pH 8-9.5) 3.37 8.77 -55.24 0 7 -1 86 450.559 12 ↓
Mid Mid (pH 6-8) 3.81 10.59 -44.24 2 7 1 84 452.575 11 ↓
Mid Mid (pH 6-8) 2.78 0.6 -49.27 1 7 1 81 452.575 12 ↓
Lo Low (pH 4.5-6) 3.81 10.88 -110.66 3 7 2 85 453.583 11 ↓
Lo Low (pH 4.5-6) 2.78 0.71 -103.82 2 7 2 82 453.583 12 ↓

Activity (Go SEA)

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