UCSF

ZINC66123376

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 36 No

Popular Name: (3R,6S)-6-(5,5-dimethyl-1,3-dioxan-2-yl)-6-methyl-3-[(E)-N-[(4-phenylphenyl)methoxy]-C-propyl-carbon (3R,6S)-6-(5,5-dimethyl-1,3-diox…

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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) 6.55 13.44 -45.8 0 7 -1 89 492.592 8 ↓
Lo Low (pH 4.5-6) 5.97 14.67 -9.25 0 7 0 83 493.6 8 ↓
Lo Low (pH 4.5-6) 6.55 12.73 -13.28 1 7 0 87 493.6 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.