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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: 7,8-dihydro-2H-thiopyrano[4,3-c]pyridazin-3(5H)-one 7,8-dihydro-2H-thiopyrano[4,3-c]…

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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) 1.23 0.32 -45.41 0 3 -1 49 167.213 0 ↓
Mid Mid (pH 6-8) 0.77 2.18 -7.87 1 3 0 46 168.221 0 ↓

Analogs

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Popular Name: 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 3-chloro-7,8-dihydro-5H-thiopyra…

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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) 2.13 4.24 -6.32 0 2 0 26 186.667 0 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine 7,8-dihydro-5H-thiopyrano[4,3-c]…

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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 2.76 -30.44 3 3 1 53 168.245 0 ↓
Mid Mid (pH 6-8) 0.93 2.73 -29.51 3 3 1 53 168.245 0 ↓
Mid Mid (pH 6-8) 0.93 2.61 -7.79 2 3 0 52 167.237 0 ↓

Analogs

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Popular Name: N-methyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine N-methyl-7,8-dihydro-5H-thiopyra…

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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) 1.31 3.67 -28.27 2 3 1 39 182.272 1 ↓
Mid Mid (pH 6-8) 1.31 3.5 -7.71 1 3 0 38 181.264 1 ↓
Mid Mid (pH 6-8) 1.31 3.63 -28.22 2 3 1 39 182.272 1 ↓

Analogs

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Popular Name: N-ethyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine N-ethyl-7,8-dihydro-5H-thiopyran…

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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) 1.68 4.48 -27.8 2 3 1 39 196.299 2 ↓
Mid Mid (pH 6-8) 1.68 4.44 -28.05 2 3 1 39 196.299 2 ↓
Mid Mid (pH 6-8) 1.68 4.32 -7.18 1 3 0 38 195.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine N-propyl-7,8-dihydro-5H-thiopyra…

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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) 2.19 5.25 -27.98 2 3 1 39 210.326 3 ↓
Mid Mid (pH 6-8) 2.19 5.21 -28.1 2 3 1 39 210.326 3 ↓
Mid Mid (pH 6-8) 2.19 5.08 -6.87 1 3 0 38 209.318 3 ↓

Analogs

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Popular Name: 7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-ylhydrazine 7,8-dihydro-5H-thiopyrano[4,3-c]…

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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) 0.69 2.43 -9.01 3 4 0 64 182.252 1 ↓
Mid Mid (pH 6-8) 0.69 2.55 -30.09 4 4 1 65 183.26 1 ↓

Parameters Provided:

ring.id = 370682
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 = 370682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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