UCSF

ZINC18158350

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 18 No

Popular Name: 5-Benzyl-5-ethylbarbituric acid sodium salt; Barbituric acid, 5-benzyl-5-ethyl-, sodium salt; LS-23813 5-Benzyl-5-ethylbarbituric acid …

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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) 1.66 2.2 -7.1 2 5 0 75 246.266 3 ↓
Mid Mid (pH 6-8) 1.52 0.43 -36.65 1 5 -1 82 245.258 3 ↓
Mid Mid (pH 6-8) 0.96 0.44 -36.57 1 5 -1 82 245.258 3 ↓

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