UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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

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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

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-[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: 2-(1,1-dioxo-1,2-thiazolidin-2-yl)benzonitrile 2-(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) 1.25 3.65 -17.67 0 4 0 61 222.269 1 ↓

Analogs

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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) 0.95 2.74 -17.03 1 8 0 102 342.373 6 ↓

Analogs

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Popular Name: 2-(4-bromo-2-fluorophenyl)-1$l^{6},2-thiazolidine-1,1-dione 2-(4-bromo-2-fluorophenyl)-1$l^{…

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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) 2.45 3.84 -14.4 0 3 0 37 294.145 1 ↓

Analogs

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Popular Name: 2-(3-Bromophenyl)isothiazolidine 1,1-dioxide 2-(3-Bromophenyl)isothiazolidine…

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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) 2.33 3.62 -17.03 0 3 0 37 276.155 1 ↓

Analogs

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Popular Name: 2-(4-Bromophenyl)isothiazolidine 1,1-dioxide 2-(4-Bromophenyl)isothiazolidine…

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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) 2.36 3.61 -14.82 0 3 0 37 276.155 1 ↓

Analogs

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Popular Name: 2-(2-Bromophenyl)isothiazolidine 1,1-dioxide 2-(2-Bromophenyl)isothiazolidine…

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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) 2.31 4.02 -13.35 0 3 0 37 276.155 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-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) 0.70 2.26 -26.08 1 6 0 76 270.31 3 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluoro-benzonitrile 2-(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) 1.37 3.68 -18.92 0 4 0 61 240.259 1 ↓

Analogs

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Popular Name: [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluoro-phenyl]methanamine [2-(1,1-dioxo-1,2-thiazolidin-2-…

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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) 0.80 1.56 -49.89 3 4 1 65 245.299 2 ↓
Hi High (pH 8-9.5) 0.80 1.13 -13.26 2 4 0 63 244.291 2 ↓

Analogs

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Popular Name: 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluoro-benzenecarbothioamide 2-(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) 1.41 2.8 -16.53 2 4 0 63 274.342 2 ↓

Analogs

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Popular Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-sec-butyl-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) 1.95 3.87 -19.52 1 5 0 66 296.392 4 ↓

Analogs

12536642
12536642

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Popular Name: (2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]amino]-N-(methylcarbamoyl)propanamide (2R)-2-[[4-(1,1-dioxo-1,2-thiazo…

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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) 1.16 1.17 -28.93 3 8 0 108 340.405 4 ↓

Analogs

12536641
12536641

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Popular Name: (2S)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]amino]-N-(methylcarbamoyl)propanamide (2S)-2-[[4-(1,1-dioxo-1,2-thiazo…

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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) 1.16 1.17 -33.34 3 8 0 108 340.405 4 ↓

Analogs

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Popular Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-methoxyethylamino)-2-oxo-ethyl]benzamide 3-(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) 0.31 -0.25 -20.49 2 8 0 105 355.416 7 ↓

Analogs

15731538
15731538

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

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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 4.64 -51.25 2 6 1 71 340.469 7 ↓
Hi High (pH 8-9.5) 1.52 2.33 -19.71 1 6 0 70 339.461 7 ↓

Analogs

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Popular Name: 2-{2-[1-(methylamino)ethyl]phenyl}-1$l^{6},2-thiazolidine-1,1-dione hydrochloride 2-{2-[1-(methylamino)ethyl]pheny…

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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) 1.62 3.93 -42.44 2 4 1 54 255.363 3 ↓
Hi High (pH 8-9.5) 1.62 2.77 -12.98 1 4 0 49 254.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{2-[1-(methylamino)ethyl]phenyl}-1$l^{6},2-thiazolidine-1,1-dione hydrochloride 2-{2-[1-(methylamino)ethyl]pheny…

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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) 1.62 3.91 -43.44 2 4 1 54 255.363 3 ↓
Hi High (pH 8-9.5) 1.62 2.83 -14.16 1 4 0 49 254.355 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[2-(1,1-dioxo-1,2-thiazol…

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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) 1.99 4.76 -40.74 2 4 1 54 269.39 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-ethyl-ethanamine (1R)-1-[2-(1,1-dioxo-1,2-thiazol…

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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) 1.99 4.75 -41.8 2 4 1 54 269.39 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[2-(1,1-dioxo-1,2-thia…

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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) 2.50 5.52 -41.29 2 4 1 54 283.417 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[2-(1,1-dioxo-1,2-thia…

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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) 2.50 5.51 -42.37 2 4 1 54 283.417 5 ↓

Analogs

19415414
19415414
19415416
19415416

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Popular Name: 2-{3-[1-(methylamino)ethyl]phenyl}-1$l^{6},2-thiazolidine-1,1-dione 2-{3-[1-(methylamino)ethyl]pheny…

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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) 1.64 3.6 -52.21 2 4 1 54 255.363 3 ↓

Analogs

19415414
19415414
19415416
19415416

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{3-[1-(methylamino)ethyl]phenyl}-1$l^{6},2-thiazolidine-1,1-dione 2-{3-[1-(methylamino)ethyl]pheny…

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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) 1.64 3.61 -53.15 2 4 1 54 255.363 3 ↓

Analogs

19415414
19415414
19415416
19415416

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-(1,1-dioxo-1,2-thiazol…

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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 4.45 -50.93 2 4 1 54 269.39 4 ↓

Analogs

19415414
19415414
19415416
19415416

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-(1,1-dioxo-1,2-thiazol…

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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 4.45 -51.85 2 4 1 54 269.39 4 ↓

Analogs

19415414
19415414
19415416
19415416

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-(1,1-dioxo-1,2-thia…

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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) 2.52 5.21 -51.65 2 4 1 54 283.417 5 ↓

Analogs

19415414
19415414
19415416
19415416

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-(1,1-dioxo-1,2-thia…

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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) 2.52 5.2 -52.63 2 4 1 54 283.417 5 ↓

Analogs

48333502
48333502
48387383
48387383
52735657
52735657
52750588
52750588
52754115
52754115

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{4-[1-(methylamino)ethyl]phenyl}-1$l^{6},2-thiazolidine-1,1-dione 2-{4-[1-(methylamino)ethyl]pheny…

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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 3.5 -50.93 2 4 1 54 255.363 3 ↓

Analogs

48333502
48333502
48387383
48387383
52735657
52735657
52750588
52750588
52754115
52754115

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{4-[1-(methylamino)ethyl]phenyl}-1$l^{6},2-thiazolidine-1,1-dione 2-{4-[1-(methylamino)ethyl]pheny…

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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 3.5 -51.57 2 4 1 54 255.363 3 ↓

Analogs

52750586
52750586
52750588
52750588
52754115
52754115
52754116
52754116

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[4-(1,1-dioxo-1,2-thiazol…

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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) 2.04 4.36 -49.45 2 4 1 54 269.39 4 ↓

Analogs

52750586
52750586
52750588
52750588
52754115
52754115
52754116
52754116

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-ethyl-ethanamine (1R)-1-[4-(1,1-dioxo-1,2-thiazol…

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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) 2.04 4.35 -50 2 4 1 54 269.39 4 ↓

Analogs

52750586
52750586
52750588
52750588
52754115
52754115
52754116
52754116

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[4-(1,1-dioxo-1,2-thia…

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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) 2.54 5.12 -50.3 2 4 1 54 283.417 5 ↓

Analogs

52750586
52750586
52750588
52750588
52754115
52754115
52754116
52754116

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Popular Name: N-[(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[4-(1,1-dioxo-1,2-thia…

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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) 2.54 5.11 -50.79 2 4 1 54 283.417 5 ↓

Analogs

34483078
34483078

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Popular Name: 2-(3,4-dichlorophenyl)tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione 2-(3,4-dichlorophenyl)tetrahydro…

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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) 2.83 3.97 -16.74 0 3 0 37 266.149 1 ↓

Analogs

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Popular Name: 1-[(1R)-1,2-dimethylpropyl]-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-phenyl]urea 1-[(1R)-1,2-dimethylpropyl]-3-[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) 2.60 3.49 -17.24 2 6 0 79 343.424 4 ↓

Analogs

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Popular Name: 1-[(1S)-1,2-dimethylpropyl]-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-phenyl]urea 1-[(1S)-1,2-dimethylpropyl]-3-[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) 2.60 3.8 -17.33 2 6 0 79 343.424 4 ↓

Analogs

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Popular Name: 1-allyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-phenyl]urea 1-allyl-3-[5-(1,1-dioxo-1,2-thia…

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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 2.02 -17.36 2 6 0 79 313.354 4 ↓

Analogs

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Popular Name: 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-phenyl]-3-isobutyl-urea 1-[5-(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) 2.27 2.99 -17.3 2 6 0 79 329.397 4 ↓

Analogs

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Popular Name: 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-phenyl]-3-propyl-urea 1-[5-(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 2.25 -17.57 2 6 0 79 315.37 4 ↓

Analogs

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Popular Name: 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-phenyl]-3-pentyl-urea 1-[5-(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) 3.09 3.79 -17.46 2 6 0 79 343.424 6 ↓

Analogs

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Popular Name: 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-phenyl]-3-isopentyl-urea 1-[5-(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) 2.80 3.52 -17.42 2 6 0 79 343.424 5 ↓

Analogs

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Popular Name: 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(1R)-1-methylheptyl]urea 1-[3-(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) 4.31 6.35 -20.34 2 6 0 79 367.515 8 ↓

Analogs

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Popular Name: 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(1S)-1-methylheptyl]urea 1-[3-(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) 4.31 6.35 -20.34 2 6 0 79 367.515 8 ↓

Analogs

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Popular Name: N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(5-methoxypentyl)oxamide 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) 0.86 1.74 -22.13 2 8 0 105 383.47 9 ↓

Parameters Provided:

ring.id = 13164
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 = 13164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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