UCSF

ZINC17057625

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 31 No

Popular Name: (4E,5S)-4-[hydroxy-(4-methoxyphenyl)methylene]-1-(2-morpholinoethyl)-5-phenyl-pyrrolidine-2,3-dione (4E,5S)-4-[hydroxy-(4-methoxyphe…

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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) 2.31 5.83 -60.01 0 7 -1 82 421.473 7 ↓
Mid Mid (pH 6-8) 2.31 8.19 -69.97 1 7 0 83 422.481 7 ↓
Lo Low (pH 4.5-6) 2.31 7.37 -51.67 2 7 1 81 423.489 7 ↓

Activity (Go SEA)

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