UCSF

ZINC19976556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 14 Yes

Other Names:

MFCD09049485

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) 0.46 1.11 -40.62 3 4 1 49 200.306 4
Hi High (pH 8-9.5) 0.46 -0.33 -9.27 2 4 0 44 199.298 4
Lo Low (pH 4.5-6) 0.46 3.3 -113.77 4 4 2 50 201.314 4

Vendor Notes

Note Type Comments Provided By
MP 55 - 57 Enamine Building Blocks
MP 55...57 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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