UCSF

ZINC13483620

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 12 Yes

Popular Name: 3-(1H-imidazol-1-ylmethyl)piperidine 3-(1H-imidazol-1-ylmethyl)piperi…

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CAS Numbers: 1185293-78-0 , 763919-35-3 , 915921-71-0

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) 0.20 5.18 -42.72 2 3 1 34 166.248 2 ↓
Mid Mid (pH 6-8) 0.20 5.68 -94.2 3 3 2 36 167.256 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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