UCSF

ZINC16730907

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

Popular Name: (5R)-4-(3,4-dimethoxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-nitrophenyl)-5H-pyrrol-2-one (5R)-4-(3,4-dimethoxybenzoyl)-1-…

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) 2.01 9.92 -77.32 1 10 0 129 455.467 9 ↓
Hi High (pH 8-9.5) 2.01 7.38 -55.57 0 10 -1 128 454.459 9 ↓
Mid Mid (pH 6-8) 2.46 8.75 -72.89 2 10 1 126 456.475 8 ↓
Mid Mid (pH 6-8) 1.43 9.79 -76.16 1 10 1 123 456.475 9 ↓

Activity (Go SEA)

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