UCSF

ZINC19516150

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 12 Yes

Popular Name: 1-(1-Azepanyl)-2-(methylamino)-1-ethanone hydrochloride 1-(1-Azepanyl)-2-(methylamino)-1…

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CAS Numbers: 1220033-40-8 , N/A , [1220033-40-8]

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) 0.86 4.06 -39.49 2 3 1 37 171.264 2 ↓
Hi High (pH 8-9.5) 0.86 2.58 -7.24 1 3 0 32 170.256 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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