UCSF

ZINC39018731

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 14 Yes

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

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CAS Numbers: 1220028-77-2 , 881041-21-0 , 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) 2.26 6.84 -104.78 3 2 2 21 198.354 2 ↓
Hi High (pH 8-9.5) 2.26 5.28 -31.18 2 2 1 20 197.346 2 ↓
Mid Mid (pH 6-8) 2.26 5.59 -29.58 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% )