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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]ethanone 1-[(3S)-3-(aminomethyl)pyrrolidi…

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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 0.3 -63.7 3 5 1 82 261.367 3 ↓

Analogs

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Popular Name: 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]ethanone 1-[(3R)-3-(aminomethyl)pyrrolidi…

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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 0.3 -63.52 3 5 1 82 261.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]ethanone 1-[(3S)-3-(aminomethyl)pyrrolidi…

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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 0.3 -62.67 3 5 1 82 261.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]ethanone 1-[(3R)-3-(aminomethyl)pyrrolidi…

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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 0.3 -62.67 3 5 1 82 261.367 3 ↓

Analogs

44617170
44617170
44617173
44617173
44617176
44617176
44617180
44617180

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]pyrrolidine-2-carboxylic (2R)-1-[2-[(3R)-1,1-dioxothiolan…

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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) -1.98 3.29 -64.6 0 6 -1 95 274.318 3 ↓

Analogs

44617170
44617170
44617173
44617173
44617176
44617176
44617180
44617180

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]pyrrolidine-2-carboxylic (2S)-1-[2-[(3R)-1,1-dioxothiolan…

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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) -1.98 3.18 -66.66 0 6 -1 95 274.318 3 ↓

Analogs

44617170
44617170
44617173
44617173
44617176
44617176
44617180
44617180

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]pyrrolidine-2-carboxylic (2R)-1-[2-[(3S)-1,1-dioxothiolan…

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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) -1.98 3.29 -63.92 0 6 -1 95 274.318 3 ↓

Analogs

44617170
44617170
44617173
44617173
44617176
44617176
44617180
44617180

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]pyrrolidine-2-carboxylic (2S)-1-[2-[(3S)-1,1-dioxothiolan…

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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) -1.98 3.18 -64.96 0 6 -1 95 274.318 3 ↓

Analogs

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Popular Name: (2R,4R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-[2-[(3R)-1,1-dioxothio…

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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) -2.90 -0.18 -73.01 1 7 -1 115 290.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-[2-[(3S)-1,1-dioxothio…

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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) -2.90 -0.19 -74.38 1 7 -1 115 290.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-[2-[(3R)-1,1-dioxothio…

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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) -2.90 -0.18 -74.3 1 7 -1 115 290.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-[2-[(3S)-1,1-dioxothio…

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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) -2.90 -0.19 -75 1 7 -1 115 290.317 3 ↓

Analogs

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Popular Name: (2R,4R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-[2-[(3R)-1,1-dioxothio…

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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 2.15 -65.11 0 7 -1 104 304.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-[2-[(3R)-1,1-dioxothio…

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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 2.15 -65.68 0 7 -1 104 304.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-[2-[(3R)-1,1-dioxothio…

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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 2.47 -62.23 0 7 -1 104 304.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-[2-[(3R)-1,1-dioxothio…

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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 2.31 -65.5 0 7 -1 104 304.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3R)-1,1-dioxothiolan…

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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) -0.17 3.26 -59.4 0 6 -1 95 288.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3R)-1,1-dioxothiolan…

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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) -0.17 3.33 -62.3 0 6 -1 95 288.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3S)-1,1-dioxothiolan…

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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) -0.17 3.26 -58.68 0 6 -1 95 288.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3S)-1,1-dioxothiolan…

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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) -0.17 3.33 -60.88 0 6 -1 95 288.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3R)-1,1-dioxothiolan…

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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 3.92 -54.17 0 6 -1 95 302.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3R)-1,1-dioxothiolan…

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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 3.83 -61.44 0 6 -1 95 302.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3S)-1,1-dioxothiolan…

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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 3.91 -53.67 0 6 -1 95 302.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3S)-1,1-dioxothiolan…

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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 3.83 -59.98 0 6 -1 95 302.372 4 ↓

Analogs

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Popular Name: (3S)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3R)-1,1-dioxothiolan…

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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) 0.72 4.68 -54.39 0 6 -1 95 316.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3R)-1,1-dioxothiolan…

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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) 0.72 4.58 -61.77 0 6 -1 95 316.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3S)-1,1-dioxothiolan…

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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) 0.72 4.68 -53.96 0 6 -1 95 316.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3S)-1,1-dioxothiolan…

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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) 0.72 4.58 -60.39 0 6 -1 95 316.399 5 ↓

Analogs

42434337
42434337
42434338
42434338
42434339
42434339

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 2-[(3R)-1,1-dioxothiolan-3-yl]-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) -0.40 -0.16 -16.33 1 5 0 75 261.343 3 ↓

Analogs

42434338
42434338
42434339
42434339
42434336
42434336

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 2-[(3R)-1,1-dioxothiolan-3-yl]-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) -0.40 -0.17 -16.57 1 5 0 75 261.343 3 ↓

Analogs

42434339
42434339
42434336
42434336
42434337
42434337

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 2-[(3S)-1,1-dioxothiolan-3-yl]-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) -0.40 -0.17 -15.69 1 5 0 75 261.343 3 ↓

Analogs

42434336
42434336
42434337
42434337
42434338
42434338

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone 2-[(3S)-1,1-dioxothiolan-3-yl]-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) -0.40 -0.17 -15.61 1 5 0 75 261.343 3 ↓

Parameters Provided:

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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 = 10315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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