UCSF

ZINC37213763

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

Popular Name: N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-pyridyl)piperidin-4-amine N-[[(2R)-1-ethylpyrrolidin-2-yl]…

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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) 2.11 7.98 -86.19 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.11 8.37 -32.29 2 4 1 33 289.447 5 ↓
Mid Mid (pH 6-8) 2.11 9.46 -119.73 3 4 2 37 290.455 5 ↓
Mid Mid (pH 6-8) 2.11 8.69 -69.42 3 4 2 34 290.455 5 ↓
Mid Mid (pH 6-8) 2.11 9.79 -180.38 4 4 3 38 291.463 5 ↓
Mid Mid (pH 6-8) 2.11 7.66 -39.7 2 4 1 36 289.447 5 ↓

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