UCSF

ZINC37090092

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 Yes

Popular Name: 1-methyl-N-[(3S)-1-pyrimidin-2-yl-3-piperidyl]piperidin-4-amine 1-methyl-N-[(3S)-1-pyrimidin-2-y…

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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) 1.35 8.15 -37.31 2 5 1 45 276.408 3 ↓
Lo Low (pH 4.5-6) 1.35 9.16 -104.86 3 5 2 50 277.416 3 ↓
Lo Low (pH 4.5-6) 1.35 6.78 -40.56 2 5 1 49 276.408 3 ↓

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