UCSF

ZINC03631009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 19 No

Popular Name: 5-Allyl-5-(2'-acetamidopropyl)barbituric acid; Acetamide, N-(2-(5-allyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-1-methyl)-; LS-8016; N-(2-(5-Allyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-1-methyl)acetamide 5-Allyl-5-(2'-acetamidopropyl)ba…

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) -0.36 -0.09 -10.88 3 7 0 104 267.285 5 ↓
Mid Mid (pH 6-8) -0.50 -2.58 -36.4 2 7 -1 111 266.277 5 ↓
Mid Mid (pH 6-8) -1.06 -2.6 -44.21 2 7 -1 111 266.277 5 ↓

Activity (Go SEA)

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