UCSF

ZINC40164449

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 43 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) 4.73 14.45 -126.12 3 10 -2 167 588.705 13
Mid Mid (pH 6-8) 4.47 13.76 -130.63 4 10 -2 170 588.705 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0229810A1; EP0229810B1; EP0879383A2; US4857474; US4891319; US5876995; US6113886; US6152358; WO1997029319A2; WO1998023737A1; WO1998026277A2; WO1999049019A2 IBM Patent Data
UniProt Database Links UNAG_ANGJA ChEBI
Patent Database Links WO2007103427 ChEBI

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