UCSF

ZINC37066144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 Yes

Other Names:

MFCD09879054

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) 1.00 5.17 -7.63 0 4 0 44 194.625 1
Mid Mid (pH 6-8) 1.00 5.63 -31.02 1 4 1 45 195.633 1

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.