UCSF

ZINC03772151

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2004 12 Yes

Popular Name: 3-(azepan-1-yl)-3-oxopropanenitrile 3-(azepan-1-yl)-3-oxopropanenitrile

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CAS Number: 15029-38-6

Other Names:

MFCD00228093

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) 0.53 5.19 -15.4 0 3 0 44 166.224 1 ↓

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