UCSF

ZINC09428389

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 35 No

Popular Name: 3-hydroxy-4-(4-isopropoxy-3-methyl-benzoyl)-1-(3-morpholinopropyl)-5-(3-pyridyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-isopropoxy-3-meth…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.46 9.24 -58.35 2 8 1 93 480.585 9 ↓
Mid Mid (pH 6-8) 1.88 9.95 -67.74 1 8 1 90 480.585 9 ↓
Lo Low (pH 4.5-6) 2.46 9.53 -108.07 3 8 2 95 481.593 9 ↓
Lo Low (pH 4.5-6) 1.88 10.23 -122.69 2 8 2 91 481.593 9 ↓

Activity (Go SEA)

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