UCSF

ZINC39309101

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 36 No

Popular Name: 5-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-is 5-[4-[[(2S,4R)-2-(2,4-dichloroph…

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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) 5.27 16.09 -88.95 2 7 2 66 529.468 9 ↓
Mid Mid (pH 6-8) 5.27 16.07 -52.94 1 7 1 65 528.46 9 ↓
Mid Mid (pH 6-8) 5.27 15.07 -13.14 0 7 0 63 527.452 9 ↓
Mid Mid (pH 6-8) 5.27 15.58 -40.6 1 7 1 65 528.46 9 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4218458; US4313953; US4533550 IBM Patent Data

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