UCSF

ZINC20282595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 Yes

Other Names:

MFCD09728395

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) 0.84 5.88 -92.81 4 3 2 47 203.289 3
Hi High (pH 8-9.5) 0.84 5.06 -8.8 2 3 0 44 201.273 3
Mid Mid (pH 6-8) 0.84 5.45 -55.14 3 3 1 45 202.281 3

Vendor Notes

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

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