UCSF

ZINC40135809

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 No

CAS Numbers: 1449-05-4 , 471-53-4

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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) 5.62 11.43 -63.18 1 4 -1 77 469.686 1
Lo Low (pH 4.5-6) 5.62 9.47 -14.93 2 4 0 75 470.694 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0243248A1; EP0424444A1; EP0424444B1; EP0489779A1; EP0489779B1; EP0496520A1; EP0677287A2; EP0677287A3; EP0729744A1; EP0737066A1; EP0755675A1; EP0786999A1; EP0792371A1; EP0831912A1; EP0894435A1; EP0904112A1; EP0914431A2; EP1021204A2; EP1023055A1; US454895 IBM Patent Data

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