UCSF

ZINC21300442

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 16 Yes

Popular Name: (S)-1-Boc-3-((dimethylamino)methyl)pyrrolidine (S)-1-Boc-3-((dimethylamino)meth…

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CAS Numbers: 1246643-15-1 , 859027-48-8 , 85916-26-3 , 859213-51-7 , [1246643-15-1] , [859213-51-7]

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) 1.91 6.71 -40.17 1 4 1 34 229.344 4 ↓
Hi High (pH 8-9.5) 2.75 4.9 -3.3 0 1 0 13 233.052 0 ↓

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