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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: 6-chloro-N-[(3R)-1,1-dioxothian-3-yl]pyridazine-3-carboxamide 6-chloro-N-[(3R)-1,1-dioxothian-…

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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) 0.26 -0.12 -15.84 1 6 0 89 289.744 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothian-3-yl]pyridazine-3-carboxamide 6-chloro-N-[(3S)-1,1-dioxothian-…

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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) 0.26 -0.11 -15.84 1 6 0 89 289.744 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-(propylamino)pyridazine-3-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-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) 0.32 0.72 -16.75 2 7 0 101 312.395 5 ↓
Lo Low (pH 4.5-6) 0.32 0.88 -44.16 3 7 1 102 313.403 5 ↓
Lo Low (pH 4.5-6) 0.32 0.95 -43.96 3 7 1 102 313.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-(propylamino)pyridazine-3-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-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) 0.32 0.73 -16.72 2 7 0 101 312.395 5 ↓
Lo Low (pH 4.5-6) 0.32 0.89 -44.12 3 7 1 102 313.403 5 ↓
Lo Low (pH 4.5-6) 0.32 0.96 -43.95 3 7 1 102 313.403 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-(ethylamino)pyridazine-3-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-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) -0.18 -0.03 -17.01 2 7 0 101 298.368 4 ↓
Lo Low (pH 4.5-6) -0.18 0.14 -43.86 3 7 1 102 299.376 4 ↓
Lo Low (pH 4.5-6) -0.18 0.2 -43.77 3 7 1 102 299.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-(ethylamino)pyridazine-3-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-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) -0.18 -0.03 -17.03 2 7 0 101 298.368 4 ↓
Lo Low (pH 4.5-6) -0.18 0.14 -43.86 3 7 1 102 299.376 4 ↓
Lo Low (pH 4.5-6) -0.18 0.2 -43.78 3 7 1 102 299.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-(methylamino)pyridazine-3-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-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) -0.56 -0.85 -17.65 2 7 0 101 284.341 3 ↓
Lo Low (pH 4.5-6) -0.56 -0.68 -44.35 3 7 1 102 285.349 3 ↓
Lo Low (pH 4.5-6) -0.56 -0.62 -44.01 3 7 1 102 285.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-(methylamino)pyridazine-3-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-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) -0.56 -0.84 -17.65 2 7 0 101 284.341 3 ↓
Lo Low (pH 4.5-6) -0.56 -0.68 -44.39 3 7 1 102 285.349 3 ↓
Lo Low (pH 4.5-6) -0.56 -0.61 -44.02 3 7 1 102 285.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(3R)-1,1-dioxothian-3-yl]pyridazine-3-carboxamide 6-amino-N-[(3R)-1,1-dioxothian-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) -0.93 -1.74 -17.94 3 7 0 115 270.314 2 ↓
Lo Low (pH 4.5-6) -0.93 -1.51 -45.65 4 7 1 116 271.322 2 ↓
Lo Low (pH 4.5-6) -0.93 -1.59 -46.9 4 7 1 116 271.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(3S)-1,1-dioxothian-3-yl]pyridazine-3-carboxamide 6-amino-N-[(3S)-1,1-dioxothian-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) -0.93 -1.75 -17.95 3 7 0 115 270.314 2 ↓
Lo Low (pH 4.5-6) -0.93 -1.52 -45.69 4 7 1 116 271.322 2 ↓
Lo Low (pH 4.5-6) -0.93 -1.59 -46.89 4 7 1 116 271.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-hydrazino-pyridazine-3-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-6-h…

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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) -1.18 -1.88 -18.86 4 8 0 127 285.329 3 ↓
Lo Low (pH 4.5-6) -1.18 -1.65 -45.87 5 8 1 128 286.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-hydrazino-pyridazine-3-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-6-h…

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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) -1.18 -1.89 -19 4 8 0 127 285.329 3 ↓
Lo Low (pH 4.5-6) -1.18 -1.66 -46 5 8 1 128 286.337 3 ↓

Parameters Provided:

ring.id = 289789
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 = 289789 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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