UCSF

ZINC14090000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 35 No

CAS Numbers: 122841-10-5 , 122841-12-7

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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) -4.94 1.96 -54.52 6 14 0 205 522.569 9
Lo Low (pH 4.5-6) -4.94 2.09 -80.14 7 14 1 206 523.577 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0979229A1; EP1005356A1; EP1012139A1; US5795909; US5888998; US5994340; WO1997044063A2; WO1998047895A1; WO1999010324A1; WO1999030690A1; WO1999064037A1; WO1999064049A1 IBM Patent Data

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