UCSF

ZINC41627831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 11 Yes

Other Names:

MFCD16481376

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) -0.95 2.55 -43.53 3 2 1 41 169.273 2
Hi High (pH 8-9.5) -0.95 2.21 -5.4 2 2 0 39 168.265 2

Vendor Notes

Note Type Comments Provided By
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.