UCSF

ZINC21951365

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

Other Names:

MFCD08442235

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) 1.85 5.75 -57.56 3 3 1 48 235.351 6
Hi High (pH 8-9.5) 1.85 5.36 -8.82 2 3 0 46 234.343 6

Vendor Notes

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

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