UCSF

ZINC04214177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 27 No

CAS Numbers: 599-33-7 , [599-33-7]

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) 1.91 -2.69 -16.18 3 5 0 94 372.461 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0003519A1; EP0072268A1; EP0154407A2; EP0173478A1; EP0173478B1; EP0178624A2; EP0256989A1; EP0454773A1; EP0496520A1; EP0581842B1; EP0605497A1; EP0605497B2; EP0737066A1; EP0786999A1; EP0792371A1; EP0809501A1; EP0831912A1; EP0904112A1; EP0914431A2; EP092956 IBM Patent Data

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