UCSF

ZINC09122177

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 35 No

Popular Name: 4-[hydroxy-(3-methoxyphenyl)-methylene]-1-(3-morpholinopropyl)-5-(4-nitrophenyl)-pyrrolidine-2,3-dio 4-[hydroxy-(3-methoxyphenyl)-met…

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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) 2.52 7.38 -59.64 0 10 -1 128 480.497 9 ↓
Mid Mid (pH 6-8) 2.96 9.77 -54.32 2 10 1 126 482.513 8 ↓
Mid Mid (pH 6-8) 2.52 9.7 -74.2 1 10 0 129 481.505 9 ↓

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