UCSF

ZINC38638674

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 16 Yes

Popular Name: 2-(4-Methylphenyl)-2-piperidin-1-ylethanamine 2-(4-Methylphenyl)-2-piperidin-1…

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CAS Numbers: , 927965-82-0 , 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) 2.09 6.87 -115.91 4 2 2 32 220.36 3 ↓
Hi High (pH 8-9.5) 2.09 4.99 -42.33 3 2 1 31 219.352 3 ↓
Hi High (pH 8-9.5) 2.09 7.16 -27.65 3 2 1 30 219.352 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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