UCSF

ZINC14618074

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 29 Yes

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) -0.52 -3.98 -16.14 6 9 0 165 406.387 5
Hi High (pH 8-9.5) -0.52 -2.88 -55.7 5 9 -1 168 405.379 5
Hi High (pH 8-9.5) -0.52 -3.05 -59.08 5 9 -1 168 405.379 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0150745A2; EP0150745B1; EP0219057A2; EP0270933A2; EP0270933B1; EP0271711A2; EP0297088A1; EP0303004A1; EP0319560A1; EP0319560B1; EP0362486A2; EP0362486B1; EP0387417A1; EP0387417B1; EP0389636B1; EP0422192B1; EP0427817B1; EP0434421A2; EP0434421B1; EP044640 IBM Patent Data

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