UCSF

ZINC04312781

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 15 Yes

Popular Name: 1-Azepanyl(2-piperidinyl)methanone hydrochloride 1-Azepanyl(2-piperidinyl)methano…

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CAS Numbers: 1008079-86-4 , 1236254-92-4 , N/A , [1236254-92-4]

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) 1.76 5.57 -35.08 2 3 1 37 211.329 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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