UCSF

ZINC40239810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 14 Yes

Other Names:

MFCD12786418

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) 0.26 1.68 -98.68 4 4 2 54 197.282 5
Hi High (pH 8-9.5) 0.26 1.26 -32.62 3 4 1 53 196.274 5
Hi High (pH 8-9.5) 0.26 -1.2 -5.92 2 4 0 51 195.266 5

Vendor Notes

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

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