UCSF

ZINC39978696

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 15 Yes

Popular Name: (2R)-N-methyl-2-phenyl-2-pyrrolidin-1-yl-ethanamine (2R)-N-methyl-2-phenyl-2-pyrroli…

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Vendors

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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) 2.11 7.41 -108.58 3 2 2 21 206.333 4 ↓
Hi High (pH 8-9.5) 2.11 5.32 -36.96 2 2 1 20 205.325 4 ↓
Hi High (pH 8-9.5) 2.11 6.06 -31.93 2 2 1 16 205.325 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6054445; US6057323; WO2000014065A1 IBM Patent Data

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