UCSF

ZINC13551092

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Popular Name: (4E,5R)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)methylene]-1-(3-methoxypropyl)-5-(3-nitrophenyl)pyrr (4E,5R)-4-[hydroxy-(4-isobutoxy-…

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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) 4.12 11.49 -54.32 0 9 -1 125 481.525 11 ↓
Mid Mid (pH 6-8) 4.57 11.73 -14.38 1 9 0 122 482.533 10 ↓
Mid Mid (pH 6-8) 3.54 11.75 -17.15 0 9 0 119 482.533 11 ↓

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