UCSF

ZINC31284301

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 25 No

Popular Name: 1-(4-Dimethylamino-2-oxobutyl)-5-ethyl-5-phenylbarbituric acid hydrochloride; Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride; LS-24207 1-(4-Dimethylamino-2-oxobutyl)-5…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.70 4.41 -65.67 1 7 0 94 345.399 7 ↓
Hi High (pH 8-9.5) 0.70 1.94 -47.84 0 7 -1 93 344.391 7 ↓
Lo Low (pH 4.5-6) 1.06 6.97 -44.47 2 7 1 88 346.407 7 ↓

Activity (Go SEA)

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