UCSF

ZINC20191977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 28 No

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

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) 2.44 9.26 -77.84 1 6 0 74 380.444 7 ↓
Hi High (pH 8-9.5) 2.44 6.73 -60.64 0 6 -1 73 379.436 7 ↓
Lo Low (pH 4.5-6) 2.44 8.44 -55.89 2 6 1 71 381.452 7 ↓

Activity (Go SEA)

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