UCSF

ZINC42477070

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 Yes

Other Names:

MFCD28145596

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) -0.44 1.78 -94.46 5 4 2 61 201.314 4
Hi High (pH 8-9.5) -0.44 1.45 -40.21 4 4 1 60 200.306 4
Mid Mid (pH 6-8) -0.25 -0.65 -47.68 4 4 1 67 200.306 4

Vendor Notes

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

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