UCSF

ZINC11821531

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 23 Yes

Popular Name: (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridyl)methylamino]methyl]piperidin-2-one (3R)-1-(2,2-dimethylpropyl)-3-hy…

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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) 1.26 -2.94 -41.34 3 5 1 70 320.457 6 ↓
Lo Low (pH 4.5-6) 1.26 -2.93 -109.41 4 5 2 71 321.465 6 ↓

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Rings

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