UCSF

ZINC09007529

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 36 No

Popular Name: 4-[hydroxy-(4-propoxyphenyl)-methylene]-1-(2-morpholinoethyl)-5-(3-nitrophenyl)-pyrrolidine-2,3-dion 4-[hydroxy-(4-propoxyphenyl)-met…

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Download: MOL2 SDF SMILES Flexibase

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) 3.12 8.76 -52.42 0 10 -1 128 494.524 10 ↓
Mid Mid (pH 6-8) 2.54 11.37 -58.7 1 10 1 123 496.54 10 ↓
Mid Mid (pH 6-8) 3.57 10.43 -51.05 2 10 1 126 496.54 9 ↓
Mid Mid (pH 6-8) 3.12 11.11 -71.16 1 10 0 129 495.532 10 ↓

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