UCSF

ZINC19939342

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 No

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

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) 4.17 11.07 -72.84 1 6 0 74 436.552 8 ↓
Hi High (pH 8-9.5) 4.17 8.53 -59.69 0 6 -1 73 435.544 8 ↓
Lo Low (pH 4.5-6) 4.17 10.25 -50.91 2 6 1 71 437.56 8 ↓

Activity (Go SEA)

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