UCSF

ZINC19995157

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (5E)-1-[(4-methoxyphenyl)methyl]-5-[(2-piperazin-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6- (5E)-1-[(4-methoxyphenyl)methyl]…

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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) -0.48 2.14 -50.68 4 9 1 113 388.448 7 ↓
Ref Reference (pH 7) -0.48 2.13 -49.92 4 9 1 113 388.448 7 ↓
Hi High (pH 8-9.5) -0.48 0.78 -9.95 3 9 0 108 387.44 7 ↓
Hi High (pH 8-9.5) -0.48 0.78 -10.23 3 9 0 108 387.44 7 ↓

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Rings

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

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