UCSF

ZINC59417334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 34 No

Popular Name: 1-[(4-methoxyphenyl)methyl]-5,5-bis[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 1-[(4-methoxyphenyl)methyl]-5,5-…

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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) 2.97 8.8 -11.58 1 8 0 101 458.518 9 ↓
Mid Mid (pH 6-8) 2.27 6.23 -41.03 0 8 -1 108 457.51 9 ↓
Lo Low (pH 4.5-6) 2.97 9.25 -42.89 2 8 1 103 459.526 9 ↓
Lo Low (pH 4.5-6) 2.97 9.71 -84.42 3 8 2 104 460.534 9 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.