UCSF

ZINC39141030

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 13 Yes

Popular Name: 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidine oxalate 3-methyl-1-(pyrrolidin-2-ylmethy…

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CAS Numbers: 1203006-02-3 , 1220027-07-5 , N/A , [1220027-07-5]

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) 1.67 6.41 -109.6 3 2 2 21 184.327 2 ↓
Mid Mid (pH 6-8) 1.67 5.3 -28.32 2 2 1 16 183.319 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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