UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S,2R)-1-benzyl-3-[[(1S)-1,5-dimethylhexyl]amino]-2-hydroxy-propyl]-3-(1,1-dioxo-1,2-thiazolidin N-[(1S,2R)-1-benzyl-3-[[(1S)-1,5…

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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) 4.59 7.94 -67.76 5 8 1 115 559.797 15 ↓

Analogs

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Popular Name: N-[(1R,2R)-1-benzyl-3-[[(1S)-1,5-dimethylhexyl]amino]-2-hydroxy-propyl]-3-(1,1-dioxo-1,2-thiazolidin N-[(1R,2R)-1-benzyl-3-[[(1S)-1,5…

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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) 4.59 8.43 -69.33 5 8 1 115 559.797 15 ↓

Analogs

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Popular Name: (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methyl-2-phenyl-propyl)prop-2-enamide (E)-3-[4-(1,1-dioxo-1,2-thiazoli…

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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) 4.16 8.18 -22.26 1 5 0 66 398.528 6 ↓

Analogs

44830167
44830167
44830170
44830170
44830173
44830173

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Popular Name: (1S,6R)-6-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6R)-6-[[4-(1,1-dioxo-1,2-thi…

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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) 1.63 5.56 -57.03 1 7 -1 107 363.415 4 ↓
Lo Low (pH 4.5-6) 1.63 3.78 -20.18 2 7 0 104 364.423 4 ↓

Analogs

44830170
44830170
44830173
44830173
44830164
44830164

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Popular Name: (1S,6S)-6-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6S)-6-[[4-(1,1-dioxo-1,2-thi…

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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) 1.63 5.83 -62.58 1 7 -1 107 363.415 4 ↓
Lo Low (pH 4.5-6) 1.63 4.36 -22.52 2 7 0 104 364.423 4 ↓

Analogs

44830173
44830173
44830164
44830164
44830167
44830167

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Popular Name: (1R,6R)-6-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic (1R,6R)-6-[[4-(1,1-dioxo-1,2-thi…

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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) 1.63 5.69 -80.45 1 7 -1 107 363.415 4 ↓
Lo Low (pH 4.5-6) 1.63 4.36 -27.22 2 7 0 104 364.423 4 ↓

Analogs

44830164
44830164
44830167
44830167
44830170
44830170

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Popular Name: (1R,6S)-6-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic (1R,6S)-6-[[4-(1,1-dioxo-1,2-thi…

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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) 1.63 5.81 -58.71 1 7 -1 107 363.415 4 ↓
Lo Low (pH 4.5-6) 1.63 3.75 -24 2 7 0 104 364.423 4 ↓

Analogs

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Popular Name: 1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[4-(1,1-dioxo-1,2-thiazolid…

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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) 2.23 6.67 -68.89 1 7 -1 107 379.458 5 ↓
Lo Low (pH 4.5-6) 2.23 4.56 -24.51 2 7 0 104 380.466 5 ↓

Analogs

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Popular Name: 5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3,3-dimethyl-5-oxo-pentanoic 5-[4-(1,1-dioxo-1,2-thiazolidin-…

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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 4.99 -60.33 1 7 -1 107 353.42 6 ↓
Lo Low (pH 4.5-6) 1.67 3.02 -24.01 2 7 0 104 354.428 6 ↓

Analogs

44830196
44830196

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Popular Name: (1S,4R,5S,6R)-6-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carb (1S,4R,5S,6R)-6-[[4-(1,1-dioxo-1…

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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) 1.97 6.06 -75.08 1 7 -1 107 375.426 4 ↓
Lo Low (pH 4.5-6) 1.97 4.3 -23.86 2 7 0 104 376.434 4 ↓

Analogs

44830193
44830193

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Popular Name: (1S,4R,5S,6S)-6-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carb (1S,4R,5S,6S)-6-[[4-(1,1-dioxo-1…

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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) 1.97 5.84 -55.25 1 7 -1 107 375.426 4 ↓
Lo Low (pH 4.5-6) 1.97 3.88 -19.46 2 7 0 104 376.434 4 ↓

Analogs

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Popular Name: (1S)-1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (1S)-1-(4-aminophenyl)-2-(1,1-di…

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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) -0.26 -0.97 -15.29 3 5 0 84 256.327 3 ↓

Analogs

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Popular Name: (1R)-1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (1R)-1-(4-aminophenyl)-2-(1,1-di…

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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) -0.26 0.13 -13.83 3 5 0 84 256.327 3 ↓

Analogs

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Popular Name: [(1S)-1-(3-fluorophenyl)ethyl] [(1S)-1-(3-fluorophenyl)ethyl]

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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) 4.23 9.6 -20.21 0 5 0 64 389.448 6 ↓

Analogs

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Popular Name: 2-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-1,2-thiazolidine 2-[[(3S,6R)-6-methyl-3-piperidyl…

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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) 0.74 1.58 -47.05 2 4 1 54 233.357 2 ↓

Analogs

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Popular Name: 2-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-1,2-thiazolidine 2-[[(3S,6S)-6-methyl-3-piperidyl…

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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) 0.74 1.88 -46.98 2 4 1 54 233.357 2 ↓

Analogs

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Popular Name: 2-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-1,2-thiazolidine 2-[[(3R,6R)-6-methyl-3-piperidyl…

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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) 0.74 1.84 -48.16 2 4 1 54 233.357 2 ↓

Analogs

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Popular Name: 2-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-1,2-thiazolidine 2-[[(3R,6S)-6-methyl-3-piperidyl…

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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) 0.74 1.55 -48.27 2 4 1 54 233.357 2 ↓

Analogs

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Popular Name: N,N-dibutyl-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N,N-dibutyl-4-(1,1-dioxo-1,2-thi…

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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) 3.39 7.73 -21.95 0 5 0 58 352.5 8 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-[2-(2-pyridyl)ethyl]benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 1.15 5.86 -28.09 0 6 0 71 359.451 5 ↓
Lo Low (pH 4.5-6) 1.15 6.21 -51.46 1 6 1 72 360.459 5 ↓

Analogs

39702150
39702150
39702152
39702152

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Popular Name: ethyl ethyl

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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 6.47 -23.28 0 7 0 84 380.466 5 ↓

Analogs

39702150
39702150
39702152
39702152

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Popular Name: ethyl ethyl

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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 6.46 -24.23 0 7 0 84 380.466 5 ↓

Analogs

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Popular Name: N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-2-hydroxy-benzohydrazide N'-[4-(1,1-dioxo-1,2-thiazolidin…

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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) 2.02 2.31 -24.43 3 8 0 116 375.406 4 ↓
Hi High (pH 8-9.5) 2.02 3.32 -64.09 2 8 -1 119 374.398 4 ↓

Analogs

4484117
4484117
15731540
15731540

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-methylheptyl]benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 4.02 7 -22.96 1 5 0 66 352.5 8 ↓

Analogs

4484117
4484117
15731540
15731540

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-methylheptyl]benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 4.02 7 -22.93 1 5 0 66 352.5 8 ↓

Analogs

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Popular Name: N-(3-butoxypropyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-(3-butoxypropyl)-4-(1,1-dioxo-…

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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) 2.43 4.48 -22.9 1 6 0 76 354.472 9 ↓

Analogs

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Popular Name: N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(1S,2R,3R)-2,3-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) 3.13 5.74 -22.79 1 5 0 66 350.484 3 ↓

Analogs

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Popular Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(1S,2R,3S)-2,3-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) 3.13 6.55 -22.17 1 5 0 66 350.484 3 ↓

Analogs

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Popular Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(1R,2R,3R)-2,3-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) 3.13 5.92 -22.88 1 5 0 66 350.484 3 ↓

Analogs

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Popular Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(1R,2R,3S)-2,3-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) 3.13 6.14 -22.94 1 5 0 66 350.484 3 ↓

Analogs

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Popular Name: N-(5-tert-butyl-2-hydroxy-phenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-(5-tert-butyl-2-hydroxy-phenyl…

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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) 3.85 4.57 -22.68 2 6 0 87 388.489 4 ↓

Analogs

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Popular Name: N-[2-(diisopropylamino)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[2-(diisopropylamino)ethyl]-4-…

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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 5.36 -54.51 2 6 1 71 368.523 7 ↓

Analogs

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Popular Name: N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzohydrazide N'-[2-(3,5-dimethylpyrazol-1-yl)…

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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) 0.34 2.97 -28.18 2 9 0 113 391.453 5 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholino-propyl)benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 1.43 2.01 -22.38 1 7 0 79 381.498 5 ↓
Mid Mid (pH 6-8) 1.43 3.96 -58.17 2 7 1 80 382.506 5 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-quinolyl)benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 2.78 6.85 -32.54 1 6 0 79 367.43 3 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 1.79 4.59 -25 2 7 0 96 391.424 5 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-methyl-2-(1-piperidyl)propyl]benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 2.49 6.4 -55.48 2 6 1 71 380.534 5 ↓

Analogs

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Popular Name: N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-2-methyl-benzohydrazide N'-[4-(1,1-dioxo-1,2-thiazolidin…

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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) 1.93 4.46 -22.22 2 7 0 96 373.434 4 ↓

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Popular Name: ethyl ethyl

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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) 1.61 4.41 -26.91 1 8 0 96 395.481 5 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 2.18 6.35 -25.16 1 7 0 84 398.488 5 ↓
Mid Mid (pH 6-8) 2.18 6.85 -46.52 2 7 1 86 399.496 5 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 2.28 6.53 -57.15 2 6 1 71 380.534 6 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 2.28 6.53 -57.15 2 6 1 71 380.534 6 ↓

Analogs

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Popular Name: N-[3-(benzimidazol-1-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[3-(benzimidazol-1-yl)propyl]-…

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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) 2.19 7.46 -29.06 1 7 0 84 398.488 6 ↓
Lo Low (pH 4.5-6) 2.19 7.94 -56.84 2 7 1 86 399.496 6 ↓

Analogs

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Popular Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]m [(4aR,8aS)-3,4,4a,5,6,7,8,8a-oct…

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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) 2.69 7.22 -18.11 0 5 0 58 362.495 2 ↓

Analogs

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Popular Name: [(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]m [(4aS,8aS)-3,4,4a,5,6,7,8,8a-oct…

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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) 2.69 7.2 -17.06 0 5 0 58 362.495 2 ↓

Analogs

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Popular Name: [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]m [(4aR,8aR)-3,4,4a,5,6,7,8,8a-oct…

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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) 2.69 7.1 -19.11 0 5 0 58 362.495 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]m [(4aS,8aR)-3,4,4a,5,6,7,8,8a-oct…

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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) 2.69 7.13 -17.43 0 5 0 58 362.495 2 ↓

Analogs

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Popular Name: 2-[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]ethanamine 2-[4-[(1,1-dioxo-1,2-thiazolidin…

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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) 0.23 2.3 -54.94 3 4 1 65 255.363 4 ↓

Analogs

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Popular Name: 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline 2-[2-(1,1-dioxo-1,2-thiazolidin-…

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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) 1.09 2.21 -12.62 2 4 0 63 240.328 3 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-methylisoxazol-3-yl)benzamide 4-(1,1-dioxo-1,2-thiazolidin-2-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) 1.27 3.78 -22.49 1 7 0 93 321.358 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 8959 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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