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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: (3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(3,5-dimethyl-1H-pyrazol…

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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 0.56 -63.81 3 5 1 79 244.34 3 ↓
Mid Mid (pH 6-8) -0.23 -0.63 -15.18 2 5 0 75 243.332 3 ↓

Analogs

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Popular Name: (3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(3,5-dimethyl-1H-pyrazol…

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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 0.56 -64.29 3 5 1 79 244.34 3 ↓
Mid Mid (pH 6-8) -0.23 -0.59 -16.51 2 5 0 75 243.332 3 ↓

Analogs

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Popular Name: (1S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (1S)-N-[(3R)-1,1-dioxothiolan-3-…

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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 -1.88 -65.05 3 6 1 83 273.382 4 ↓
Hi High (pH 8-9.5) -1.37 -1.75 -15.18 2 6 0 81 272.374 4 ↓

Analogs

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Popular Name: (1R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (1R)-N-[(3R)-1,1-dioxothiolan-3-…

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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 -1.78 -63.82 3 6 1 83 273.382 4 ↓
Hi High (pH 8-9.5) -1.37 -2 -14.05 2 6 0 81 272.374 4 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1R)-1-(1,5-dimethylpyra…

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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 1.84 -60.19 2 5 1 69 258.367 3 ↓
Mid Mid (pH 6-8) 0.17 0.88 -15.47 1 5 0 64 257.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1S)-1-(1,5-dimethylpyra…

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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 1.87 -59.78 2 5 1 69 258.367 3 ↓
Mid Mid (pH 6-8) 0.17 0.78 -15.52 1 5 0 64 257.359 3 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1R)-1-(1,5-dimethylpyra…

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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 1.93 -60.23 2 5 1 69 258.367 3 ↓
Mid Mid (pH 6-8) 0.17 0.93 -16.6 1 5 0 64 257.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1S)-1-(1,5-dimethylpyra…

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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 1.82 -60.56 2 5 1 69 258.367 3 ↓
Mid Mid (pH 6-8) 0.17 0.8 -15.92 1 5 0 64 257.359 3 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-3-(aminomethyl)-N-methyl-N-…

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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) -1.49 -1.39 -66.78 3 6 1 83 273.382 4 ↓
Hi High (pH 8-9.5) -1.49 -2.05 -15.21 2 6 0 81 272.374 4 ↓

Analogs

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Popular Name: (3R)-3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-3-(aminomethyl)-N-methyl-N-…

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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) -1.49 -1.34 -66.02 3 6 1 83 273.382 4 ↓
Hi High (pH 8-9.5) -1.49 -1.68 -13.95 2 6 0 81 272.374 4 ↓

Analogs

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Popular Name: 4-[[[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-2-isobutyl-N,N,5-trimethyl-pyrazol-3-amine 4-[[[(3R)-1,1-dioxothiolan-3-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) 0.96 3.5 -38.56 2 6 1 68 329.49 6 ↓
Hi High (pH 8-9.5) 0.96 3.96 -13.52 1 6 0 67 328.482 6 ↓
Lo Low (pH 4.5-6) 0.96 5.17 -121.51 3 6 2 73 330.498 6 ↓

Analogs

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Popular Name: 4-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-2-isobutyl-N,N,5-trimethyl-pyrazol-3-amine 4-[[[(3S)-1,1-dioxothiolan-3-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) 0.96 3.53 -39.88 2 6 1 68 329.49 6 ↓
Hi High (pH 8-9.5) 0.96 3.99 -14.36 1 6 0 67 328.482 6 ↓
Lo Low (pH 4.5-6) 0.96 5.18 -121.82 3 6 2 73 330.498 6 ↓

Analogs

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Popular Name: 4-[[[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-N,N,2,5-tetramethyl-pyrazol-3-amine 4-[[[(3R)-1,1-dioxothiolan-3-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) -0.16 1.72 -38.95 2 6 1 68 287.409 4 ↓
Hi High (pH 8-9.5) -0.16 1.57 -14.49 1 6 0 67 286.401 4 ↓
Lo Low (pH 4.5-6) -0.16 2.91 -120.62 3 6 2 73 288.417 4 ↓

Analogs

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Popular Name: 4-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-N,N,2,5-tetramethyl-pyrazol-3-amine 4-[[[(3S)-1,1-dioxothiolan-3-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) -0.16 1.76 -40.42 2 6 1 68 287.409 4 ↓
Hi High (pH 8-9.5) -0.16 1.61 -15.31 1 6 0 67 286.401 4 ↓
Lo Low (pH 4.5-6) -0.16 2.92 -121.02 3 6 2 73 288.417 4 ↓

Analogs

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Popular Name: (3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1-tert-butylpyrazol-4-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) 0.58 2.86 -62.58 2 5 1 69 272.394 4 ↓
Mid Mid (pH 6-8) 0.58 1.68 -14.49 1 5 0 64 271.386 4 ↓

Analogs

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Popular Name: (3S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1-tert-butylpyrazol-4-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) 0.58 2.88 -63.03 2 5 1 69 272.394 4 ↓
Mid Mid (pH 6-8) 0.58 1.73 -15.79 1 5 0 64 271.386 4 ↓

Analogs

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Popular Name: (3R)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(3-isopropyl-1-methyl-py…

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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) 0.67 2.69 -65.12 2 5 1 69 272.394 4 ↓
Mid Mid (pH 6-8) 0.67 1.5 -15.31 1 5 0 64 271.386 4 ↓

Analogs

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Popular Name: (3S)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(3-isopropyl-1-methyl-py…

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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) 0.67 2.7 -65.44 2 5 1 69 272.394 4 ↓
Mid Mid (pH 6-8) 0.67 1.55 -16.17 1 5 0 64 271.386 4 ↓

Analogs

37996828
37996828
37996829
37996829

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Popular Name: (3S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[(1-tert-butylpyrazol-4-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) 1.02 3.29 -59.46 2 5 1 69 286.421 4 ↓
Mid Mid (pH 6-8) 1.02 2.1 -14 1 5 0 64 285.413 4 ↓

Analogs

37996828
37996828
37996829
37996829

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[(1-tert-butylpyrazol-4-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) 1.02 3.31 -57.94 2 5 1 69 286.421 4 ↓
Mid Mid (pH 6-8) 1.02 2.14 -14.63 1 5 0 64 285.413 4 ↓

Analogs

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Popular Name: (3R)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[(3-isopropyl-1-methyl-py…

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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 3.12 -59.61 2 5 1 69 286.421 4 ↓
Mid Mid (pH 6-8) 1.12 1.95 -15.93 1 5 0 64 285.413 4 ↓

Analogs

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Popular Name: (3S)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[(3-isopropyl-1-methyl-py…

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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 3.09 -60.77 2 5 1 69 286.421 4 ↓
Mid Mid (pH 6-8) 1.12 1.9 -15.04 1 5 0 64 285.413 4 ↓

Parameters Provided:

ring.id = 113684
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 113684 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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