UCSF

ZINC01481910

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 11 Yes

Popular Name: (2-cyclohexyl-1-methylethyl)methylamine hydrobromide (2-cyclohexyl-1-methylethyl)meth…

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CAS Numbers: 101-40-6 , 6192-95-6 , [6192-98-9]

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) 3.17 5.91 -35.37 2 1 1 17 156.293 3 ↓
Hi High (pH 8-9.5) 1.99 8.69 -47.41 3 9 1 95 450.567 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.04e-02 g/l DrugBank-approved
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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