UCSF

ZINC41056966

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 11 Yes

Other Names:

MFCD14627855

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) 0.38 2.33 -41.9 3 2 1 31 155.265 5
Mid Mid (pH 6-8) 0.38 4.41 -110.99 4 2 2 32 156.273 5
Mid Mid (pH 6-8) 0.38 4.02 -28.85 3 2 1 30 155.265 5

Vendor Notes

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

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Analogs ( Draw Identity 99% 90% 80% 70% )