UCSF

ZINC54700331

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 14 Yes

Other Names:

MFCD16859313

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) 0.82 5.11 -39.11 2 3 1 33 196.249 1
Hi High (pH 8-9.5) 0.82 3.83 -4.73 1 3 0 28 195.241 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.