UCSF

ZINC39309085

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 Yes

Popular Name: 5-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-et 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) 4.52 15.17 -89.24 2 7 2 66 501.414 8 ↓
Mid Mid (pH 6-8) 4.52 14.66 -40.71 1 7 1 65 500.406 8 ↓
Mid Mid (pH 6-8) 4.52 14.14 -13.96 0 7 0 63 499.398 8 ↓
Mid Mid (pH 6-8) 4.52 14.65 -52.74 1 7 1 65 500.406 8 ↓

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% )