UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2,3-dione 1-[(2-methylpyrimidin-4-yl)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) -1.24 3.44 -21.44 0 5 0 63 205.217 2 ↓

Analogs

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Popular Name: 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,3-dione 1-[(3-methyl-1,2,4-oxadiazol-5-y…

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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) -1.55 0.95 -19.04 0 6 0 76 195.178 2 ↓

Analogs

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Popular Name: 1-[(3-methylisoxazol-5-yl)methyl]pyrrolidine-2,3-dione 1-[(3-methylisoxazol-5-yl)methyl…

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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) -0.69 3.25 -23.41 0 5 0 63 194.19 2 ↓

Analogs

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Popular Name: 1-[(4-ethylcyclohexyl)methyl]pyrrolidine-2,3-dione 1-[(4-ethylcyclohexyl)methyl]pyr…

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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) 1.71 6.66 -13.24 0 3 0 37 223.316 3 ↓

Analogs

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Popular Name: 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,3-dione 1-[(5-methylpyrazin-2-yl)methyl]…

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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) -0.88 2.41 -19.65 0 5 0 63 205.217 2 ↓

Analogs

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Popular Name: 1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidine-2,3-dione 1-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 0.96 6.13 -11.08 0 3 0 37 235.308 1 ↓

Analogs

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Popular Name: 1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidine-2,3-dione 1-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 0.96 6.34 -15.52 0 3 0 37 235.308 1 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-thienyl)ethyl]pyrrolidine-2,3-dione 1-[(1S)-1-(3-thienyl)ethyl]pyrro…

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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) 0.51 4.72 -14.68 0 3 0 37 209.27 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-thienyl)ethyl]pyrrolidine-2,3-dione 1-[(1R)-1-(3-thienyl)ethyl]pyrro…

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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) 0.51 4.77 -15.02 0 3 0 37 209.27 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]pyrrolidine-2,3-dione 1-[(1S)-1-cyclohexylethyl]pyrrol…

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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) 1.58 6.74 -13.51 0 3 0 37 209.289 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]pyrrolidine-2,3-dione 1-[(1R)-1-cyclohexylethyl]pyrrol…

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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) 1.58 6.63 -13.76 0 3 0 37 209.289 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylpropyl]pyrrolidine-2,3-dione 1-[(1S)-1-cyclohexylpropyl]pyrro…

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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) 2.12 7.8 -13.59 0 3 0 37 223.316 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylpropyl]pyrrolidine-2,3-dione 1-[(1R)-1-cyclohexylpropyl]pyrro…

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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) 2.12 7.69 -13.7 0 3 0 37 223.316 3 ↓

Analogs

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Popular Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione 1-[2-fluoro-5-(trifluoromethyl)p…

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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) 1.65 6.23 -14.22 0 3 0 37 261.174 2 ↓

Analogs

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Popular Name: 1-[4-(1-piperidyl)phenyl]pyrrolidine-2,3-dione 1-[4-(1-piperidyl)phenyl]pyrroli…

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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) 1.67 7.24 -15.08 0 4 0 41 258.321 2 ↓
Lo Low (pH 4.5-6) 1.67 7.87 -42.94 1 4 1 42 259.329 2 ↓

Analogs

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Popular Name: 1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2,3-dione 1-(4-pyrrolidin-1-ylphenyl)pyrro…

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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) 1.17 6.56 -15.6 0 4 0 41 244.294 2 ↓

Analogs

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Popular Name: 1-[4-(diethylamino)phenyl]pyrrolidine-2,3-dione 1-[4-(diethylamino)phenyl]pyrrol…

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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) 1.52 7.15 -15.02 0 4 0 41 246.31 4 ↓
Mid Mid (pH 6-8) 1.52 7.23 -55.71 1 4 0 42 247.318 4 ↓

Analogs

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Popular Name: 1-(4-morpholinophenyl)pyrrolidine-2,3-dione 1-(4-morpholinophenyl)pyrrolidin…

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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) 0.61 4.81 -16.43 0 5 0 50 260.293 2 ↓

Analogs

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Popular Name: 1-(3,3,3-trifluoropropyl)pyrrolidine-2,3-dione 1-(3,3,3-trifluoropropyl)pyrroli…

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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) 0.16 3.62 -14.82 0 3 0 37 195.14 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]pyrrolidine-2,3-dione 1-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 0.44 5.5 -13.86 0 3 0 37 181.235 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]pyrrolidine-2,3-dione 1-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 0.44 5.65 -13.26 0 3 0 37 181.235 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]pyrrolidine-2,3-dione 1-[(1S)-1-(cyclopropylmethyl)pro…

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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) 0.97 6.57 -13.79 0 3 0 37 195.262 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]pyrrolidine-2,3-dione 1-[(1R)-1-(cyclopropylmethyl)pro…

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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) 0.97 6.73 -13.17 0 3 0 37 195.262 4 ↓

Analogs

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Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]pyrrolidine-2,3-dione 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 1.12 5.69 -12.17 0 3 0 37 209.289 1 ↓

Analogs

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Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]pyrrolidine-2,3-dione 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 1.12 5.65 -13.18 0 3 0 37 209.289 1 ↓

Analogs

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Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]pyrrolidine-2,3-dione 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 1.12 6.59 -13.71 0 3 0 37 209.289 1 ↓

Analogs

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Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]pyrrolidine-2,3-dione 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 1.12 6.37 -13.03 0 3 0 37 209.289 1 ↓

Analogs

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Popular Name: 1-(1,1-dimethylprop-2-ynyl)pyrrolidine-2,3-dione 1-(1,1-dimethylprop-2-ynyl)pyrro…

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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) -0.07 4.04 -12.03 0 3 0 37 165.192 1 ↓

Analogs

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Popular Name: 1-but-3-ynylpyrrolidine-2,3-dione 1-but-3-ynylpyrrolidine-2,3-dione

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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) -0.60 3.76 -14.65 0 3 0 37 151.165 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]pyrrolidine-2,3-dione 1-[(1S)-1-cyclopentylethyl]pyrro…

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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) 1.08 5.97 -13.79 0 3 0 37 195.262 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]pyrrolidine-2,3-dione 1-[(1R)-1-cyclopentylethyl]pyrro…

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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) 1.08 5.71 -13.78 0 3 0 37 195.262 2 ↓

Analogs

45929773
45929773
59102303
59102303
1598676
1598676
32500789
32500789
32105134
32105134

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,1,3,3-tetramethylbutyl)pyrrolidine-2,3-dione 1-(1,1,3,3-tetramethylbutyl)pyrr…

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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) 1.75 5.18 -12.75 0 3 0 37 211.305 3 ↓

Parameters Provided:

ring.id = 14093
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 14093 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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