UCSF

ZINC38986345

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 15 Yes

Popular Name: (1-Azepan-1-ylcyclohexyl)methylamine (1-Azepan-1-ylcyclohexyl)methyla…

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CAS Numbers: , 891373-47-0

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) 2.54 5.82 -117.59 4 2 2 32 212.381 2 ↓
Mid Mid (pH 6-8) 2.54 4.29 -41.82 3 2 1 31 211.373 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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