UCSF

ZINC13570304

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: (4E,5S)-5-(3-allyloxyphenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(5-methylisoxazol-3- (4E,5S)-5-(3-allyloxyphenyl)-4-[…

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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) 4.01 10.89 -65.61 0 8 -1 105 459.478 8 ↓
Mid Mid (pH 6-8) 4.46 11.13 -18.26 1 8 0 102 460.486 7 ↓
Mid Mid (pH 6-8) 3.43 11.13 -15.69 0 8 0 99 460.486 8 ↓

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