UCSF

ZINC19871973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 Yes

Other Names:

MFCD11137041

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) -0.16 2.81 -48.41 3 3 1 40 225.287 2
Hi High (pH 8-9.5) -0.16 2.49 -3.13 2 3 0 38 224.279 2

Vendor Notes

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

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