UCSF

ZINC03734861

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 15 Yes

Popular Name: 2-(4-methoxyphenyl)azepane 2-(4-methoxyphenyl)azepane

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CAS Numbers: 1177340-64-5 , 168890-46-8 , [168890-46-8]

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) 2.25 -0.12 -38.53 2 2 1 26 206.309 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 298 - 300 Enamine Building Blocks
MP 298...300 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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