UCSF

ZINC38141711

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 34 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) 0.31 5.14 -70.92 3 12 -1 180 522.566 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0180372A2; EP0180372B1; EP0233255A1; EP0233255B1; EP0263901A1; EP0329286A1; EP0329286B1; EP0386000A1; EP0386000B1; EP0393066A1; EP0393066B1; EP0393150A1; EP0528985A1; EP0531981A1; EP0533047A1; EP0593112A1; EP0593112B1; EP0603755A2; EP0603755A3; EP069086 IBM Patent Data

Activity (Go SEA)

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