UCSF

ZINC39309097

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Substance Information

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

Popular Name: 1-butyl-5-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phen 1-butyl-5-[4-[[(2S,4R)-2-(2,4-di…

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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) 5.58 16.71 -89.64 2 7 2 66 529.468 10 ↓
Mid Mid (pH 6-8) 5.58 15.69 -13.46 0 7 0 63 527.452 10 ↓
Mid Mid (pH 6-8) 5.58 16.2 -41.12 1 7 1 65 528.46 10 ↓
Mid Mid (pH 6-8) 5.58 16.2 -52.97 1 7 1 65 528.46 10 ↓

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% )