UCSF

ZINC11803996

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 18 Yes

Popular Name: 2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline 2-fluoro-5-(6,7,8,9-tetrahydro-5…

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CAS Number: 930396-05-7

Other Names:

MFCD09389748

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) 2.34 -0.31 -11.02 2 4 0 57 246.289 1 ↓

Vendor Notes

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

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