UCSF

ZINC39827672

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2010 38 No

Popular Name: (2R)-4-hydroxy-3-(4-isobutoxybenzoyl)-1-(3-morpholinopropyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one (2R)-4-hydroxy-3-(4-isobutoxyben…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.64 10.27 -54.28 0 10 -1 128 522.578 11 ↓
Mid Mid (pH 6-8) 3.64 12.54 -74.17 1 10 0 129 523.586 11 ↓
Lo Low (pH 4.5-6) 3.64 11.79 -58.23 2 10 1 126 524.594 11 ↓

Activity (Go SEA)

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