UCSF

ZINC13571689

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 31 No

Popular Name: (4E,5S)-5-(4-chlorophenyl)-4-(hydroxy-phenyl-methylene)-1-(3-morpholinopropyl)pyrrolidine-2,3-dione (4E,5S)-5-(4-chlorophenyl)-4-(hy…

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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) 3.20 8.24 -58.53 0 6 -1 73 439.919 7 ↓
Mid Mid (pH 6-8) 3.65 10.5 -45.82 2 6 1 71 441.935 6 ↓
Mid Mid (pH 6-8) 3.20 10.57 -77.97 1 6 0 74 440.927 7 ↓

Activity (Go SEA)

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