UCSF

ZINC71790693

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 23 Yes

Other Names:

MFCD20502212

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) 3.75 9.07 -40.27 3 4 1 57 319.469 5
Hi High (pH 8-9.5) 3.75 8.54 -5.22 2 4 0 56 318.461 5

Vendor Notes

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

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