UCSF

ZINC52569327

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 28 Yes

Popular Name: 1,3-diallyl-5-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,3,5-triazinane-2,4,6-trione 1,3-diallyl-5-[[4-(2-pyridyl)pip…

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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) 0.43 9.02 -31.87 1 9 1 87 385.448 7 ↓
Mid Mid (pH 6-8) 0.43 8.7 -7.74 0 9 0 85 384.44 7 ↓
Lo Low (pH 4.5-6) 0.43 10.88 -38.49 1 9 1 87 385.448 7 ↓
Lo Low (pH 4.5-6) 0.43 11.18 -92.96 2 9 2 88 386.456 7 ↓

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

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