UCSF

ZINC49575141

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 Yes

Popular Name: 1,3-dimethyl-6-[[2-(1-piperidyl)ethylamino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[2-(1-piperidyl)…

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Annotations

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Vendors

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) 0.19 6.51 -147.51 3 6 2 65 282.388 5 ↓
Hi High (pH 8-9.5) 0.19 5.65 -49.29 2 6 1 60 281.38 5 ↓
Hi High (pH 8-9.5) 0.19 3.43 -9.57 1 6 0 59 280.372 5 ↓
Mid Mid (pH 6-8) 0.19 4.3 -62.41 2 6 1 64 281.38 5 ↓

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

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