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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4326547
4326547

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Popular Name: 6-methylsulfanyl-3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-methylsulfanyl-3-(2-thienyl)-[…

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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) 2.88 7.01 -12.58 0 4 0 43 248.336 2 ↓

Analogs

4326547
4326547

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Popular Name: 6-isopropylsulfanyl-3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-isopropylsulfanyl-3-(2-thienyl…

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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) 3.62 8.71 -11.92 0 4 0 43 276.39 3 ↓

Analogs

4326566
4326566

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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) 2.22 7.32 -16.13 1 8 0 98 377.451 8 ↓

Analogs

4326824
4326824

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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) 3.48 9.65 -13.03 0 6 0 69 334.426 6 ↓

Analogs

4326824
4326824

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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) 3.48 9.66 -12.96 0 6 0 69 334.426 6 ↓

Analogs

4326816
4326816

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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) 3.98 10.23 -15.41 0 6 0 69 348.453 7 ↓

Analogs

4326816
4326816

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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) 3.98 10.27 -15.33 0 6 0 69 348.453 7 ↓

Analogs

4326547
4326547

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Popular Name: 2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetonitrile 2-[[3-(2-thienyl)-[1,2,4]triazol…

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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) 2.66 7.64 -15.13 0 5 0 67 273.346 3 ↓

Analogs

4326813
4326813
4326814
4326814

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Popular Name: 2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetic 2-[[3-(2-thienyl)-[1,2,4]triazol…

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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) 2.12 7.83 -46.77 0 6 -1 83 291.337 4 ↓

Analogs

4326824
4326824

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Popular Name: (2S)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]propanoic (2S)-2-[[3-(2-thienyl)-[1,2,4]tr…

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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) 2.49 8.64 -46.71 0 6 -1 83 305.364 4 ↓

Analogs

4326824
4326824

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Popular Name: (2R)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]propanoic (2R)-2-[[3-(2-thienyl)-[1,2,4]tr…

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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) 2.49 8.66 -47.4 0 6 -1 83 305.364 4 ↓

Analogs

4326816
4326816

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Popular Name: (2S)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]butanoic (2S)-2-[[3-(2-thienyl)-[1,2,4]tr…

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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) 2.99 9.13 -48.2 0 6 -1 83 319.391 5 ↓

Analogs

4326816
4326816

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Popular Name: (2R)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]butanoic (2R)-2-[[3-(2-thienyl)-[1,2,4]tr…

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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) 2.99 9.28 -52.28 0 6 -1 83 319.391 5 ↓

Analogs

4326816
4326816

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Popular Name: (2S)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]hexanoic (2S)-2-[[3-(2-thienyl)-[1,2,4]tr…

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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) 4.05 10.73 -51.31 0 6 -1 83 347.445 7 ↓

Analogs

4326816
4326816

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Popular Name: (2R)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]hexanoic (2R)-2-[[3-(2-thienyl)-[1,2,4]tr…

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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) 4.05 10.8 -49.91 0 6 -1 83 347.445 7 ↓

Analogs

4326551
4326551

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Popular Name: (2S)-N,N-dimethyl-3-oxo-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]butanamide (2S)-N,N-dimethyl-3-oxo-2-[[3-(2…

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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) 1.32 7.79 -15.4 0 7 0 80 361.452 5 ↓
Mid Mid (pH 6-8) 2.08 6.69 -47.02 0 7 -1 86 360.444 4 ↓

Analogs

4326551
4326551

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Popular Name: (2R)-N,N-dimethyl-3-oxo-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]butanamide (2R)-N,N-dimethyl-3-oxo-2-[[3-(2…

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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) 1.32 7.75 -15.33 0 7 0 80 361.452 5 ↓

Analogs

4033754
4033754

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Popular Name: 3-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]pentane-2,4-dione 3-[[3-(2-thienyl)-[1,2,4]triazol…

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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) 2.71 7.91 -39.98 0 6 -1 83 331.402 4 ↓
Mid Mid (pH 6-8) 1.96 8.26 -15.14 0 6 0 77 332.41 5 ↓

Parameters Provided:

ring.id = 99659
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 = 99659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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