UCSF

ZINC38971058

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Substance Information

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

Popular Name: 4-methyl-1-(2-piperidinylmethyl)piperidine oxalate 4-methyl-1-(2-piperidinylmethyl)…

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CAS Numbers: 1177348-16-1 , 1220018-85-8 , 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 7.25 -111.66 3 2 2 21 198.354 2 ↓
Mid Mid (pH 6-8) 2.17 5.99 -31.54 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% )