UCSF

ZINC09380038

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 31 No

Popular Name: 3-hydroxy-1-(2-methoxyethyl)-4-(4-methoxy-3-methyl-benzoyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one 3-hydroxy-1-(2-methoxyethyl)-4-(…

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) 2.75 8.44 -54.88 0 9 -1 125 425.417 8 ↓
Mid Mid (pH 6-8) 3.20 7.38 -29.12 1 9 0 122 426.425 7 ↓
Mid Mid (pH 6-8) 2.17 0.84 -21.21 0 9 0 118 426.425 8 ↓

Activity (Go SEA)

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