UCSF

ZINC38971028

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 14 Yes

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

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CAS Numbers: 1202992-15-1 , 1220028-85-2 , N/A

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) 2.17 7.21 -111.35 3 2 2 21 198.354 2 ↓
Mid Mid (pH 6-8) 2.17 5.94 -31.13 2 2 1 16 197.346 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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