UCSF

ZINC12505832

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 11 No

Other Names:

MFCD09802073

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) 0.50 1.32 -7.66 1 4 0 50 153.185 1
Ref Reference (pH 7) 0.50 1.14 -9.78 1 4 0 50 153.185 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.