UCSF

ZINC09350518

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 32 No

Popular Name: 4-[hydroxy-(4-propoxyphenyl)-methylene]-5-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[hydroxy-(4-propoxyphenyl)-met…

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) 2.24 8.93 -64.06 0 7 -1 95 428.468 8 ↓
Mid Mid (pH 6-8) 2.69 8.6 -17.78 1 7 0 93 429.476 7 ↓
Lo Low (pH 4.5-6) 2.69 8.88 -43.24 2 7 1 94 430.484 7 ↓
Lo Low (pH 4.5-6) 2.69 8.88 -59.9 2 7 1 94 430.484 7 ↓
Lo Low (pH 4.5-6) 2.69 9.16 -100.73 3 7 2 95 431.492 7 ↓

Activity (Go SEA)

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