UCSF

ZINC35000839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 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) -3.69 -2.47 -269.74 5 16 -3 261 440.178 6
Mid Mid (pH 6-8) -3.69 -3.62 -148.52 6 16 -2 258 441.186 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0238672A1; EP0412688A1; EP0461174B1; EP0497870B1; EP0521108A1; EP0576592A1; EP0576592B1; EP0584200A1; EP0727987A1; EP0760678A1; EP0772440A1; EP0816503A1; EP0870841A1; EP0902779A2; EP0957110A2; EP0980433A1; EP1000036A1; EP1008657A2; EP1017376A1; EP101740 IBM Patent Data

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