UCSF

ZINC19996881

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 No

Popular Name: (5E)-5-[[2-(1-piperidyl)ethylamino]methylene]-1-(2,4,6-trimethylphenyl)hexahydropyrimidine-2,4,6-tri (5E)-5-[[2-(1-piperidyl)ethylami…

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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) 2.38 9.67 -51.13 3 7 1 88 385.488 5 ↓
Ref Reference (pH 7) 2.38 9.67 -51.82 3 7 1 88 385.488 5 ↓
Hi High (pH 8-9.5) 2.38 7.45 -10.89 2 7 0 87 384.48 5 ↓
Hi High (pH 8-9.5) 2.38 7.45 -10.98 2 7 0 87 384.48 5 ↓

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

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