UCSF

ZINC19788867

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 30 No

Popular Name: 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-5-(2,5-dimethoxyphenyl…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD02048196

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) 2.45 8.71 -74.62 1 7 0 83 410.47 8 ↓
Hi High (pH 8-9.5) 2.45 6.17 -63.93 0 7 -1 82 409.462 8 ↓
Lo Low (pH 4.5-6) 2.45 7.88 -50.31 2 7 1 81 411.478 8 ↓

Activity (Go SEA)

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