UCSF

ZINC20128883

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 Yes

Popular Name: 1,3-dimethyl-5-[[3-(1-piperidyl)propylamino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-5-[[3-(1-piperidyl)…

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Download: MOL2 SDF SMILES Flexibase

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) 0.15 6.04 -46.55 2 6 1 60 295.407 6 ↓
Mid Mid (pH 6-8) 0.15 7.47 -119.57 3 6 2 65 296.415 6 ↓
Mid Mid (pH 6-8) 0.15 5.19 -54.19 2 6 1 64 295.407 6 ↓

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Rings

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