UCSF

ZINC37213764

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Substance Information

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

Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-pyridyl)piperidin-4-amine N-[[(2S)-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 6.82 -91.82 3 4 2 37 290.455 5 ↓
Hi High (pH 8-9.5) 2.11 7.68 -36.07 2 4 1 33 289.447 5 ↓
Mid Mid (pH 6-8) 2.11 8.81 -118.01 3 4 2 37 290.455 5 ↓
Mid Mid (pH 6-8) 2.11 8.02 -71.02 3 4 2 34 290.455 5 ↓
Mid Mid (pH 6-8) 2.11 9.14 -177.21 4 4 3 38 291.463 5 ↓
Mid Mid (pH 6-8) 2.11 6.48 -44.59 2 4 1 36 289.447 5 ↓

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