UCSF

ZINC32917459

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 16 Yes

Popular Name: N-(2,3-dimethylcyclohexyl)-N-methylpiperidin-4-amine N-(2,3-dimethylcyclohexyl)-N-met…

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CAS Number: 1186644-90-5

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) 2.55 5.78 -32.11 2 2 1 16 225.4 2 ↓
Mid Mid (pH 6-8) 2.55 5.3 -39.39 2 2 1 20 225.4 2 ↓
Mid Mid (pH 6-8) 2.55 7.19 -102.45 3 2 2 21 226.408 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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