UCSF

ZINC20054269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 14 Yes

Other Names:

MFCD11153901

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) 0.57 4.97 -82.41 3 3 2 21 201.358 6
Hi High (pH 8-9.5) 0.57 2.45 -32.19 2 3 1 20 200.35 6
Hi High (pH 8-9.5) 0.57 2.59 -34.28 2 3 1 20 200.35 6

Vendor Notes

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

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