UCSF

ZINC03882787

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 13 Yes

Popular Name: 1-pyrimidin-2-yl-1,4-diazepane 1-pyrimidin-2-yl-1,4-diazepane

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CAS Numbers: 1353954-62-7 , 21279-57-2 , 21279-58-3 , [21279-57-2]

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) 0.32 4.11 -40.04 2 4 1 46 179.247 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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