UCSF

ZINC17286428

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 25 No

Popular Name: (5R)-3-hydroxy-2-[[(4S)-2-hydroxy-4-methyl-6-oxo-1-cyclohexenyl]-phenyl-methyl]-5-methyl-cyclohex-2- (5R)-3-hydroxy-2-[[(4S)-2-hydrox…

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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) 3.26 10.09 -117.69 0 4 -2 80 338.403 3 ↓
Mid Mid (pH 6-8) 3.26 8.51 -47.94 1 4 -1 77 339.411 3 ↓
Mid Mid (pH 6-8) 2.68 11.45 -40.36 0 4 -1 74 339.411 3 ↓
Mid Mid (pH 6-8) 3.26 9.06 -48.16 1 4 -1 77 339.411 3 ↓
Mid Mid (pH 6-8) 2.68 11.39 -40.34 0 4 -1 74 339.411 3 ↓
Mid Mid (pH 6-8) 3.26 8.44 -47.73 1 4 -1 77 339.411 3 ↓
Mid Mid (pH 6-8) 3.26 8.49 -47.79 1 4 -1 77 339.411 3 ↓
Lo Low (pH 4.5-6) 2.68 11.39 -40.39 0 4 -1 74 339.411 3 ↓
Lo Low (pH 4.5-6) 2.68 11.45 -40.36 0 4 -1 74 339.411 3 ↓

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