UCSF

ZINC31485200

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 35 No

Popular Name: 1,3-Bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenylbarbituric acid dihydrochloride; 5-Ethyl-1,3-bis(4-diethylamino-2-butynyl)-5-phenylbarbituric acid dihydrochloride; Barbituric acid, 1,3-bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenyl-, dihydrochloride 1,3-Bis(4-(diethylamino)-2-butyn…

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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) 4.04 15.49 -88.12 2 7 2 67 480.653 10 ↓
Hi High (pH 8-9.5) 4.04 11.88 -9.75 0 7 0 64 478.637 10 ↓
Mid Mid (pH 6-8) 4.04 13.71 -39.56 1 7 1 65 479.645 10 ↓

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