UCSF

ZINC21806954

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) 4.29 8.12 -3.77 0 1 0 9 224.369 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0119741A2; EP0119860A2; EP0164130A2; EP0170164A2; EP0173256A2; EP0176804A1; EP0177765A1; EP0205121A2; EP0205121B1; EP0217353A2; EP0217353B1; EP0219033A2; EP0219033B1; EP0226849A2; EP0226849B1; EP0228655A2; EP0228655B1; EP0230048A2; EP0230659A2; EP023065 IBM Patent Data

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