UCSF

ZINC02006535

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 20 No

Popular Name: 1-Methoxymethyl-5-ethyl-5-phenylbarbituric acid; 1-Methoxymethylphenobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-(methoxymethyl)-5-phenyl-; BRN 0759369; Barbituric acid, 5-ethyl-1-(methoxymethyl)-5-phenyl-; LS-24372; N-Methoxymethylphenobarbital 1-Methoxymethyl-5-ethyl-5-phenyl…

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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) 1.20 0.54 -41.94 0 6 -1 82 275.284 4 ↓
Lo Low (pH 4.5-6) 1.56 2.31 -8.31 1 6 0 76 276.292 4 ↓

Activity (Go SEA)

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