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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: (1S)-N'-[(3R)-1,1-dioxothian-3-yl]-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine (1S)-N'-[(3R)-1,1-dioxothian-3-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) 1.40 3.38 -47.05 2 4 1 51 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 2.23 -54.95 2 4 1 54 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 2.05 -11.91 1 4 0 49 302.465 5 ↓

Analogs

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Popular Name: (1R)-N'-[(3R)-1,1-dioxothian-3-yl]-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine (1R)-N'-[(3R)-1,1-dioxothian-3-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) 1.40 3.5 -45.7 2 4 1 51 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 2.42 -55.21 2 4 1 54 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 1.24 -10.78 1 4 0 49 302.465 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-[(3S)-1,1-dioxothian-3-yl]-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine (1S)-N'-[(3S)-1,1-dioxothian-3-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) 1.40 3.4 -46.5 2 4 1 51 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 2.27 -55.53 2 4 1 54 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 2.05 -12.96 1 4 0 49 302.465 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-[(3S)-1,1-dioxothian-3-yl]-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine (1R)-N'-[(3S)-1,1-dioxothian-3-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) 1.40 3.49 -49.04 2 4 1 51 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 2.41 -54.58 2 4 1 54 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 1.26 -11.28 1 4 0 49 302.465 5 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-methyl-2-(2-thienyl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-methyl-2-(2-thien…

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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) 1.92 4.16 -48.58 2 3 1 51 274.431 4 ↓
Mid Mid (pH 6-8) 1.92 3.12 -11.05 1 3 0 46 273.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-methyl-2-(2-thien…

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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) 1.92 4.1 -51.12 2 3 1 51 274.431 4 ↓
Mid Mid (pH 6-8) 1.92 3.14 -10.62 1 3 0 46 273.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-methyl-2-(2-thienyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-methyl-2-(2-thien…

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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) 1.92 4.12 -48.32 2 3 1 51 274.431 4 ↓
Mid Mid (pH 6-8) 1.92 3.12 -10.58 1 3 0 46 273.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-methyl-2-(2-thien…

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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) 1.92 4.14 -52.37 2 3 1 51 274.431 4 ↓
Mid Mid (pH 6-8) 1.92 3.15 -12.69 1 3 0 46 273.423 4 ↓

Analogs

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Popular Name: (1R)-2-[[(3R)-1,1-dioxothian-3-yl]amino]-1-(2-thienyl)ethanol (1R)-2-[[(3R)-1,1-dioxothian-3-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) 0.60 0.33 -57.89 3 4 1 71 276.403 4 ↓
Mid Mid (pH 6-8) 0.60 -0.87 -11.97 2 4 0 66 275.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(3R)-1,1-dioxothian-3-yl]amino]-1-(2-thienyl)ethanol (1S)-2-[[(3R)-1,1-dioxothian-3-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) 0.60 0.34 -57.55 3 4 1 71 276.403 4 ↓
Mid Mid (pH 6-8) 0.60 -0.89 -12.11 2 4 0 66 275.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(3S)-1,1-dioxothian-3-yl]amino]-1-(2-thienyl)ethanol (1R)-2-[[(3S)-1,1-dioxothian-3-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) 0.60 0.32 -57.52 3 4 1 71 276.403 4 ↓
Mid Mid (pH 6-8) 0.60 -0.86 -12.61 2 4 0 66 275.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(3S)-1,1-dioxothian-3-yl]amino]-1-(2-thienyl)ethanol (1S)-2-[[(3S)-1,1-dioxothian-3-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) 0.60 0.36 -57.9 3 4 1 71 276.403 4 ↓
Mid Mid (pH 6-8) 0.60 -0.88 -13.23 2 4 0 66 275.395 4 ↓

Parameters Provided:

ring.id = 286448
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 = 286448 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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