UCSF

ZINC42543866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 Yes

Other Names:

MFCD14671450

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) 1.92 4.19 -36.24 2 2 1 20 197.346 2
Mid Mid (pH 6-8) 1.92 5.77 -32.64 2 2 1 16 197.346 2
Lo Low (pH 4.5-6) 1.92 6.79 -106.4 3 2 2 21 198.354 2

Vendor Notes

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

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