UCSF

ZINC71506646

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 13 No

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) 2.28 6.77 -38.7 2 1 1 17 194.323 2
Hi High (pH 8-9.5) 2.28 5.54 -2.96 1 1 0 12 193.315 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5358949 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.