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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-hydroxy-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxylic 4-hydroxy-1-(6-phenylpyridazin-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) 1.60 6.85 -52.1 1 6 -1 89 298.322 3 ↓

Analogs

36155290
36155290

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Popular Name: 4-[6-(1-piperidyl)pyridazin-3-yl]aniline 4-[6-(1-piperidyl)pyridazin-3-yl…

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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) 2.51 6.65 -10.29 2 4 0 55 254.337 2 ↓
Lo Low (pH 4.5-6) 2.51 6.75 -27.08 3 4 1 56 255.345 2 ↓
Lo Low (pH 4.5-6) 2.51 6.74 -26.22 3 4 1 56 255.345 2 ↓

Analogs

36155290
36155290

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Popular Name: 4-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]aniline 4-[6-(4-methyl-1-piperidyl)pyrid…

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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) 2.75 7.23 -10.18 2 4 0 55 268.364 2 ↓
Mid Mid (pH 6-8) 2.75 7.32 -26.37 3 4 1 56 269.372 2 ↓
Mid Mid (pH 6-8) 2.75 7.32 -27.48 3 4 1 56 269.372 2 ↓

Analogs

36155304
36155304
11567965
11567965
11567974
11567974
11567964
11567964

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Popular Name: 3-[6-(1-piperidyl)pyridazin-3-yl]aniline 3-[6-(1-piperidyl)pyridazin-3-yl…

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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) 2.48 6.64 -10.07 2 4 0 55 254.337 2 ↓
Lo Low (pH 4.5-6) 2.48 6.74 -27.7 3 4 1 56 255.345 2 ↓

Analogs

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Popular Name: ethyl 1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxylate ethyl 1-[6-(4-methylphenyl)pyrid…

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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 10.99 -14.46 0 5 0 55 325.412 5 ↓

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) 3.56 9.61 -17.53 0 6 0 65 341.411 6 ↓

Analogs

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Popular Name: N-[4-[6-(1-piperidyl)pyridazin-3-yl]phenyl]ethanesulfonamide N-[4-[6-(1-piperidyl)pyridazin-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) 3.04 6.3 -18.9 1 6 0 75 346.456 5 ↓
Hi High (pH 8-9.5) 3.04 6.45 -51.13 0 6 -1 77 345.448 5 ↓
Lo Low (pH 4.5-6) 3.04 6.38 -40.34 2 6 1 76 347.464 5 ↓

Analogs

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Popular Name: N-[4-[6-(1-piperidyl)pyridazin-3-yl]phenyl]methanesulfonamide N-[4-[6-(1-piperidyl)pyridazin-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) 2.66 5.39 -19.33 1 6 0 75 332.429 4 ↓
Hi High (pH 8-9.5) 2.66 5.56 -50.05 0 6 -1 77 331.421 4 ↓

Analogs

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Popular Name: N-[4-[6-(1-piperidyl)pyridazin-3-yl]phenyl]propane-2-sulfonamide N-[4-[6-(1-piperidyl)pyridazin-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) 3.40 6.74 -16.92 1 6 0 75 360.483 5 ↓
Hi High (pH 8-9.5) 3.40 7.19 -51.85 0 6 -1 77 359.475 5 ↓

Analogs

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Popular Name: N-[4-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]phenyl]ethanesulfonamide N-[4-[6-(4-methyl-1-piperidyl)py…

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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) 3.28 6.88 -18.79 1 6 0 75 360.483 5 ↓
Hi High (pH 8-9.5) 3.28 7.04 -50.94 0 6 -1 77 359.475 5 ↓
Lo Low (pH 4.5-6) 3.28 6.97 -40.8 2 6 1 76 361.491 5 ↓

Analogs

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Popular Name: N-[4-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]phenyl]propane-2-sulfonamide N-[4-[6-(4-methyl-1-piperidyl)py…

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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) 3.64 7.59 -18.49 1 6 0 75 374.51 5 ↓
Hi High (pH 8-9.5) 3.64 7.78 -51.69 0 6 -1 77 373.502 5 ↓
Lo Low (pH 4.5-6) 3.64 7.66 -40.74 2 6 1 76 375.518 5 ↓

Analogs

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Popular Name: (3R)-3-(2-methoxyethyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxylic (3R)-3-(2-methoxyethyl)-1-(6-phe…

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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) 2.50 9.54 -55.48 0 6 -1 78 340.403 6 ↓

Analogs

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Popular Name: (3S)-3-(2-methoxyethyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxylic (3S)-3-(2-methoxyethyl)-1-(6-phe…

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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) 2.50 9.67 -58.04 0 6 -1 78 340.403 6 ↓

Parameters Provided:

ring.id = 33290
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 = 33290 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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