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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[4-(1,1-dimethylpropyl)phenoxy]tetrazolo[5,1-f]pyridazine 6-[4-(1,1-dimethylpropyl)phenoxy…

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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) 4.02 5.55 -11.88 0 6 0 65 283.335 4 ↓

Analogs

12756953
12756953

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Popular Name: 6-(3-isopropyl-5-methyl-phenoxy)tetrazolo[5,1-f]pyridazine 6-(3-isopropyl-5-methyl-phenoxy)…

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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) 3.88 5.34 -12.11 0 6 0 65 269.308 3 ↓

Analogs

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Popular Name: 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[5,1-f]pyridazine 6-[4-(2-methoxyethyl)phenoxy]tet…

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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) 2.16 3.27 -13.24 0 7 0 74 271.28 5 ↓

Analogs

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Popular Name: 4-(tetrazolo[5,1-f]pyridazin-6-yloxy)-N-(2,2,2-trifluoroethyl)benzamide 4-(tetrazolo[5,1-f]pyridazin-6-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) 2.11 2.36 -17.28 1 8 0 94 338.249 5 ↓

Analogs

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Popular Name: 6-(2,3-difluorophenoxy)tetrazolo[5,1-f]pyridazine 6-(2,3-difluorophenoxy)tetrazolo…

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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) 2.22 2.83 -16.04 0 6 0 65 249.18 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.30 1.91 -16.42 1 9 0 104 300.278 5 ↓

Analogs

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Popular Name: 6-(3-chloro-4-nitro-phenoxy)tetrazolo[5,1-f]pyridazine 6-(3-chloro-4-nitro-phenoxy)tetr…

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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) 2.56 3.85 -16.46 0 9 0 111 292.642 3 ↓

Analogs

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Popular Name: 3-chloro-4-(tetrazolo[5,1-f]pyridazin-6-yloxy)benzaldehyde 3-chloro-4-(tetrazolo[5,1-f]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) 2.39 2.93 -18.46 0 7 0 82 275.655 3 ↓

Analogs

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Popular Name: 6-(3-fluoro-4-nitro-phenoxy)tetrazolo[5,1-f]pyridazine 6-(3-fluoro-4-nitro-phenoxy)tetr…

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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) 2.04 3.5 -17.66 0 9 0 111 276.187 3 ↓

Analogs

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Popular Name: N-methyl-3-(tetrazolo[5,1-f]pyridazin-6-yloxy)benzamide N-methyl-3-(tetrazolo[5,1-f]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) 1.16 1.03 -21.45 1 8 0 94 270.252 3 ↓

Analogs

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Popular Name: N,N-dimethyl-3-(tetrazolo[5,1-f]pyridazin-6-yloxy)benzamide N,N-dimethyl-3-(tetrazolo[5,1-f]…

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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) 0.94 2.63 -20.84 0 8 0 86 284.279 3 ↓

Parameters Provided:

ring.id = 129023
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 = 129023 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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