UCSF

ZINC12376481

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 15 Yes

Popular Name: N-benzyl-1-cyclohexylmethanamine N-benzyl-1-cyclohexylmethanamine

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CAS Numbers: 126541-72-8 , 4352-47-0 , [126541-72-8] , [4352-47-0]

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) 3.79 8.57 -41.11 2 1 1 17 204.337 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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