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

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1,1-dioxothian-3-yl]amino]pyridine-2-carbothioamide 4-[[(3R)-1,1-dioxothian-3-yl]ami…

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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) 1.22 0.63 -53.4 4 5 1 86 286.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1,1-dioxothian-3-yl]amino]pyridine-2-carbothioamide 4-[[(3S)-1,1-dioxothian-3-yl]ami…

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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) 1.22 0.62 -54.05 4 5 1 86 286.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1,1-dioxothian-3-yl]amino]-N-methyl-pyridine-2-carboxamide 4-[[(3R)-1,1-dioxothian-3-yl]ami…

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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 -0.22 -48.18 3 6 1 89 284.361 3 ↓
Hi High (pH 8-9.5) 0.61 -0.71 -17.61 2 6 0 88 283.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1,1-dioxothian-3-yl]amino]-N-methyl-pyridine-2-carboxamide 4-[[(3S)-1,1-dioxothian-3-yl]ami…

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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 -0.22 -48.13 3 6 1 89 284.361 3 ↓
Hi High (pH 8-9.5) 0.61 -0.7 -17.58 2 6 0 88 283.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1,1-dioxothian-3-yl]amino]-N,N-dimethyl-pyridine-2-carboxamide 4-[[(3R)-1,1-dioxothian-3-yl]ami…

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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 1.85 -17.95 1 6 0 79 297.38 3 ↓
Mid Mid (pH 6-8) 0.86 1.8 -47.44 2 6 1 81 298.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1,1-dioxothian-3-yl]amino]-N,N-dimethyl-pyridine-2-carboxamide 4-[[(3S)-1,1-dioxothian-3-yl]ami…

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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 1.85 -17.85 1 6 0 79 297.38 3 ↓
Mid Mid (pH 6-8) 0.86 1.8 -25.03 2 6 0 81 298.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-3-nitro-pyridin-4-amine N-[(3R)-1,1-dioxothian-3-yl]-3-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) 1.07 1.86 -16.07 1 7 0 105 271.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-3-nitro-pyridin-4-amine N-[(3S)-1,1-dioxothian-3-yl]-3-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) 1.07 1.94 -15.58 1 7 0 105 271.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1,1-dioxothian-3-yl]amino]pyridine-2-carboxamide 4-[[(3R)-1,1-dioxothian-3-yl]ami…

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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) 0.24 -2.18 -17.28 3 6 0 102 269.326 3 ↓
Mid Mid (pH 6-8) 0.24 -1.7 -48.6 4 6 1 103 270.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1,1-dioxothian-3-yl]amino]pyridine-2-carboxamide 4-[[(3S)-1,1-dioxothian-3-yl]ami…

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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) 0.24 -2.18 -17.28 3 6 0 102 269.326 3 ↓
Mid Mid (pH 6-8) 0.24 -1.7 -48.61 4 6 1 103 270.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1,1-dioxothian-3-yl]amino]-N-ethyl-pyridine-2-carboxamide 4-[[(3R)-1,1-dioxothian-3-yl]ami…

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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) 0.99 0.62 -47.54 3 6 1 89 298.388 4 ↓
Hi High (pH 8-9.5) 0.99 0.16 -17.22 2 6 0 88 297.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1,1-dioxothian-3-yl]amino]-N-ethyl-pyridine-2-carboxamide 4-[[(3S)-1,1-dioxothian-3-yl]ami…

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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) 0.99 0.62 -47.51 3 6 1 89 298.388 4 ↓
Hi High (pH 8-9.5) 0.99 0.15 -17.23 2 6 0 88 297.38 4 ↓

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 = 290147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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