UCSF

ZINC26985532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 49 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) 4.26 8.83 -64 7 11 1 168 671.863 13

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.47e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0831873A1; EP0868425A1; EP0869817A2; EP0955054A1; EP0960216A1; EP0963197A1; EP0980203A1; EP0988863A2; EP0988863A3; EP1017401A2; EP1034790A3; EP1042341A1; EP1044000A1; US5795909; US5843990; US5916910; US5955452; US6030613; US6045788; US6066489; US6093743 IBM Patent Data

Activity (Go SEA)

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