UCSF

ZINC09007702

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 No

Popular Name: 1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(5-methyl-2-furoyl)-5-(3,4,5-trimethoxyphenyl)-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) 1.52 8.22 -76.07 1 9 0 106 444.484 9 ↓
Hi High (pH 8-9.5) 1.52 5.67 -60.35 0 9 -1 105 443.476 9 ↓
Mid Mid (pH 6-8) 1.96 8.07 -49.36 2 9 1 103 445.492 8 ↓

Activity (Go SEA)

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