UCSF

ZINC32522383

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 18 Yes

Popular Name: 2-(2-Methoxy-phenyl)-2-(4-methyl-piperidin-1-yl)-ethylamine 2-(2-Methoxy-phenyl)-2-(4-methyl…

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CAS Numbers: 889939-85-9 , 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) 1.89 6.49 -115.58 4 3 2 41 250.386 4 ↓
Hi High (pH 8-9.5) 1.89 5.1 -38.4 3 3 1 40 249.378 4 ↓
Hi High (pH 8-9.5) 1.89 6.39 -27.09 3 3 1 40 249.378 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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