UCSF

ZINC52886561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 15 Yes

Other Names:

MFCD16829946

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) -0.18 4.69 -49.33 3 3 1 53 200.265 2
Hi High (pH 8-9.5) -0.18 4.36 -5.56 2 3 0 52 199.257 2

Vendor Notes

Note Type Comments Provided By
MP 47 - 49 Enamine Building Blocks
MP 47...49 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.