UCSF

ZINC01699081

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 3-azepan-1-ylpropanenitrile 3-azepan-1-ylpropanenitrile

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CAS Numbers: 1385694-14-3 , 937-51-9

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) 1.21 6.21 -45.58 1 2 1 28 153.249 2 ↓

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