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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)-1,1-dioxo-N-[(1S)-1-(3-pyridyl)ethyl]thian-3-amine (3R)-1,1-dioxo-N-[(1S)-1-(3-pyri…

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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 2.54 -56.13 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.61 1.44 -13.71 1 4 0 59 254.355 3 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[(1R)-1-(3-pyridyl)ethyl]thian-3-amine (3R)-1,1-dioxo-N-[(1R)-1-(3-pyri…

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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 2.5 -56.93 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.61 1.57 -13.03 1 4 0 59 254.355 3 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-[(1S)-1-(3-pyridyl)ethyl]thian-3-amine (3S)-1,1-dioxo-N-[(1S)-1-(3-pyri…

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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 2.49 -56.91 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.61 1.55 -13.15 1 4 0 59 254.355 3 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-[(1R)-1-(3-pyridyl)ethyl]thian-3-amine (3S)-1,1-dioxo-N-[(1R)-1-(3-pyri…

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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 2.53 -56.1 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.61 1.64 -15.44 1 4 0 59 254.355 3 ↓

Analogs

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Popular Name: (3R)-N-[(6-methoxy-3-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(6-methoxy-3-pyridyl)met…

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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) 0.45 0.38 -63.52 2 5 1 73 271.362 4 ↓
Mid Mid (pH 6-8) 0.45 -0.83 -13.82 1 5 0 68 270.354 4 ↓

Analogs

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Popular Name: (3S)-N-[(6-methoxy-3-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(6-methoxy-3-pyridyl)met…

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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) 0.45 0.37 -63.86 2 5 1 73 271.362 4 ↓
Mid Mid (pH 6-8) 0.45 -0.82 -15.13 1 5 0 68 270.354 4 ↓

Analogs

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Popular Name: (3R)-N-[(2-methoxy-3-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(2-methoxy-3-pyridyl)met…

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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 0.45 -56.08 2 5 1 73 271.362 4 ↓
Mid Mid (pH 6-8) 0.40 -0.76 -13.96 1 5 0 68 270.354 4 ↓

Analogs

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Popular Name: (3S)-N-[(2-methoxy-3-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(2-methoxy-3-pyridyl)met…

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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 0.45 -54.28 2 5 1 73 271.362 4 ↓
Mid Mid (pH 6-8) 0.40 -0.76 -13.14 1 5 0 68 270.354 4 ↓

Analogs

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Popular Name: (3R)-N-[(2-isopropoxy-3-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(2-isopropoxy-3-pyridyl)…

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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) 1.14 2.31 -55.2 2 5 1 73 299.416 5 ↓
Mid Mid (pH 6-8) 1.14 1.1 -13.5 1 5 0 68 298.408 5 ↓

Analogs

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Popular Name: (3S)-N-[(2-isopropoxy-3-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(2-isopropoxy-3-pyridyl)…

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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) 1.14 2.31 -53.61 2 5 1 73 299.416 5 ↓
Mid Mid (pH 6-8) 1.14 1.1 -12.77 1 5 0 68 298.408 5 ↓

Analogs

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Popular Name: (3R)-N-[(6-methyl-3-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(6-methyl-3-pyridyl)meth…

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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) 0.10 2.5 -60.43 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.10 1.31 -13.09 1 4 0 59 254.355 3 ↓
Lo Low (pH 4.5-6) 0.10 2.94 -125.28 3 4 2 65 256.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(6-methyl-3-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(6-methyl-3-pyridyl)meth…

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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) 0.10 2.5 -61.07 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.10 1.31 -14.65 1 4 0 59 254.355 3 ↓
Lo Low (pH 4.5-6) 0.10 2.94 -124.27 3 4 2 65 256.371 3 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-(3-pyridylmethyl)thian-3-amine (3S)-3-(aminomethyl)-N-methyl-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) -0.83 -0.34 -51.26 3 5 1 78 284.405 4 ↓
Hi High (pH 8-9.5) -0.83 -0.66 -13.29 2 5 0 76 283.397 4 ↓
Lo Low (pH 4.5-6) -0.83 0.12 -110.48 4 5 2 79 285.413 4 ↓

Analogs

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Popular Name: (3R)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-(3-pyridylmethyl)thian-3-amine (3R)-3-(aminomethyl)-N-methyl-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) -0.83 -0.27 -54.75 3 5 1 78 284.405 4 ↓
Hi High (pH 8-9.5) -0.83 -0.61 -11.9 2 5 0 76 283.397 4 ↓
Lo Low (pH 4.5-6) -0.83 0.2 -114.78 4 5 2 79 285.413 4 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[(1R)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]thian-3-amine (3R)-1,1-dioxo-N-[(1R)-1-(2,4,6-…

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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) 1.81 4.26 -55.01 2 4 1 64 297.444 3 ↓
Mid Mid (pH 6-8) 1.81 3.91 -13.34 1 4 0 59 296.436 3 ↓
Mid Mid (pH 6-8) 1.81 4.23 -37.5 2 4 1 60 297.444 3 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[(1S)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]thian-3-amine (3R)-1,1-dioxo-N-[(1S)-1-(2,4,6-…

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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) 1.81 4.14 -59 2 4 1 64 297.444 3 ↓
Mid Mid (pH 6-8) 1.81 4.51 -110.21 3 4 2 65 298.452 3 ↓
Mid Mid (pH 6-8) 1.81 3.79 -13.62 1 4 0 59 296.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[(1R)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]thian-3-amine (3S)-1,1-dioxo-N-[(1R)-1-(2,4,6-…

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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) 1.81 4.16 -58.21 2 4 1 64 297.444 3 ↓
Mid Mid (pH 6-8) 1.81 4.54 -110.86 3 4 2 65 298.452 3 ↓
Mid Mid (pH 6-8) 1.81 4.04 -17.05 1 4 0 59 296.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[(1S)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]thian-3-amine (3S)-1,1-dioxo-N-[(1S)-1-(2,4,6-…

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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) 1.81 4.25 -56.18 2 4 1 64 297.444 3 ↓
Mid Mid (pH 6-8) 1.81 3.82 -13.28 1 4 0 59 296.436 3 ↓
Mid Mid (pH 6-8) 1.81 4.21 -39.42 2 4 1 60 297.444 3 ↓

Analogs

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Popular Name: 3-[[[(3R)-1,1-dioxothian-3-yl]amino]methyl]pyridine-2-carbonitrile 3-[[[(3R)-1,1-dioxothian-3-yl]am…

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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) 0.21 0.91 -16.12 1 5 0 83 265.338 3 ↓
Lo Low (pH 4.5-6) 0.21 2.04 -58.32 2 5 1 87 266.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(3S)-1,1-dioxothian-3-yl]amino]methyl]pyridine-2-carbonitrile 3-[[[(3S)-1,1-dioxothian-3-yl]am…

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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) 0.21 0.91 -21.22 1 5 0 83 265.338 3 ↓
Lo Low (pH 4.5-6) 0.21 2.05 -62.73 2 5 1 87 266.346 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 286387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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