UCSF

ZINC32522376

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 17 Yes

Popular Name: [2-azepan-1-yl-2-(4-methylphenyl)ethyl]amine [2-azepan-1-yl-2-(4-methylphenyl…

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CAS Numbers: , 889939-39-3 , 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) 2.59 7.82 -121.39 4 2 2 32 234.387 3 ↓
Hi High (pH 8-9.5) 2.59 6.64 -41.07 3 2 1 31 233.379 3 ↓
Hi High (pH 8-9.5) 2.59 7.61 -28.06 3 2 1 30 233.379 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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