UCSF

ZINC13424932

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 23 No

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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) -1.52 -3.78 -147.49 4 12 -2 192 345.208 4
Lo Low (pH 4.5-6) -1.52 -3.51 -106.08 5 12 -1 193 346.216 4
Lo Low (pH 4.5-6) -1.52 -7.89 -110.42 5 12 -1 193 346.216 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0475160B1; US3941770; US4169011; US4266048; US6143443; US6165500 IBM Patent Data

Activity (Go SEA)

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