UCSF

ZINC71790922

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 15 Yes

Other Names:

MFCD20501896

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) -0.37 2.83 -53.03 4 5 1 69 208.289 3
Lo Low (pH 4.5-6) -0.37 3.52 -100.37 5 5 2 70 209.297 3

Vendor Notes

Note Type Comments Provided By
MP 109 - 111 Enamine Building Blocks
MP 109...111 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

No pre-computed analogs available. Try a structural similarity search.