UCSF

ZINC39373265

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 33 Yes

Popular Name: 1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2-me 1-[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) 3.84 13.71 -50.5 1 7 1 65 486.379 7 ↓
Mid Mid (pH 6-8) 3.84 13.67 -35.23 1 7 1 65 486.379 7 ↓
Mid Mid (pH 6-8) 3.84 14.18 -84.62 2 7 2 66 487.387 7 ↓
Mid Mid (pH 6-8) 3.84 13.2 -12.93 0 7 0 63 485.371 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4229581; US4232034; US4244964; US4268680 IBM Patent Data

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