UCSF

ZINC31771403

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 31 No

Popular Name: 1,3-Bis(piperidinomethyl)-5-ethyl-5-phenylbarbituric acid; 1,3-Bis-(piperidinomethyl-5-ethyl-5-phenylbarbituric acid); 1,3-Bpp; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1,3-bis(1-piperidinylmethyl)-; BRN 1608952; Barbituric acid, 1,3-bis(piperid 1,3-Bis(piperidinomethyl)-5-ethy…

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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) 3.13 8.45 -6.21 0 7 0 64 426.561 6 ↓
Mid Mid (pH 6-8) 3.13 10.61 -33.16 1 7 1 65 427.569 6 ↓
Lo Low (pH 4.5-6) 3.13 12.8 -90.87 2 7 2 67 428.577 6 ↓

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