UCSF

ZINC04234912

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: 2-(2-Chlorophenyl)azepane 2-(2-Chlorophenyl)azepane

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CAS Numbers: 1177348-80-9 , 887360-60-3 , [887360-60-3]

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) 2.82 -0.11 -38.2 2 1 1 17 210.728 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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