UCSF

ZINC37730052

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 16 Yes

Popular Name: 2-(3-amino-1H-1,2,4-triazol-1-yl)-1-(azepan-1-yl)ethan-1-one 2-(3-amino-1H-1,2,4-triazol-1-yl…

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CAS Number: 1183925-21-4

Other Names:

MFCD12766706

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) 0.03 6.81 -18.45 2 6 0 77 223.28 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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