UCSF

ZINC71790838

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 10 Yes

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) 2.49 4.56 -9.52 0 2 0 26 198.019 0

Vendor Notes

Note Type Comments Provided By
MP 79 - 81 Enamine Building Blocks
MP 79...81 Enamine Building Blocks
MP 81 - 83 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.