UCSF

ZINC19799255

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 No

Popular Name: 1-(Piperidinomethyl)phenobarbital alcoholate; 5-Ethyl-5-phenyl-1-(piperidinomethyl)barbituric acid ethanolate; Barbituric acid, 5-ethyl-5-phenyl-1-(piperidinomethyl)-, ethanolate; LS-24457 1-(Piperidinomethyl)phenobarbita…

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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) 2.15 6.02 -35.49 1 6 0 77 329.4 4 ↓
Mid Mid (pH 6-8) 2.15 3.69 -42.98 0 6 -1 76 328.392 4 ↓
Mid Mid (pH 6-8) 2.52 4.94 -6.4 1 6 0 70 329.4 4 ↓

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