UCSF

ZINC44993066

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 21 Yes

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

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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) 0.52 5.68 -47.93 2 6 1 60 295.407 5 ↓
Hi High (pH 8-9.5) 0.52 3.88 -9.79 1 6 0 59 294.399 5 ↓
Mid Mid (pH 6-8) 0.52 5.17 -60.82 2 6 1 64 295.407 5 ↓

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

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