UCSF

ZINC18141969

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 28 No

Popular Name: (4Z,5R)-4-(2-furyl-hydroxy-methylene)-1-(2-morpholinoethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione (4Z,5R)-4-(2-furyl-hydroxy-methy…

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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) 0.22 3.03 -58.1 0 8 -1 99 382.396 6 ↓
Mid Mid (pH 6-8) 0.22 5.29 -67.56 1 8 0 100 383.404 6 ↓
Lo Low (pH 4.5-6) 0.22 5.75 -109.06 2 8 1 101 384.412 6 ↓
Lo Low (pH 4.5-6) 0.22 4.54 -48.59 2 8 1 97 384.412 6 ↓

Activity (Go SEA)

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