UCSF

ZINC09879358

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 15 Yes

Popular Name: 2-Azepan-1-ylmethyl-phenylamine 2-Azepan-1-ylmethyl-phenylamine

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CAS Numbers: 19668-00-9 , [19668-00-9]

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) 2.59 -0.48 -32.16 3 2 1 30 205.325 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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