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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2S)-2-hydroxy-2-(p-tolyl)ethyl]-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-[(2S)-2-hydroxy-2-(p-tolyl)eth…

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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) 2.18 5.99 -17.31 2 6 0 84 363.417 6 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxy-2-(p-tolyl)ethyl]-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-[(2R)-2-hydroxy-2-(p-tolyl)eth…

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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) 2.18 6.09 -17.18 2 6 0 84 363.417 6 ↓

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)ethyl]-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-[2-(2,4-dimethylphenyl)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) 3.55 9.62 -17.63 1 5 0 64 361.445 6 ↓

Analogs

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Popular Name: (2R)-2-[[2-[3-(4-chlorophenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-3-phenyl-propanoic (2R)-2-[[2-[3-(4-chlorophenyl)-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) 1.18 10.11 -62.76 1 7 -1 104 410.837 7 ↓

Analogs

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]acetamide N-[2-(4-methoxyphenyl)ethyl]-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) 3.21 8.8 -19.7 1 6 0 73 409.511 8 ↓

Analogs

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Popular Name: (2S)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-[3-(3,4-dimethoxyphen…

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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) 0.14 8.79 -70.8 1 9 -1 123 436.444 9 ↓

Analogs

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Popular Name: 2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]-N-phenethyl-acetamide 2-[3-(4-methylsulfanylphenyl)-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) 3.15 9.5 -18.02 1 5 0 64 379.485 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.73 9.76 -21.52 1 7 0 90 409.417 8 ↓

Analogs

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Popular Name: (2S)-2-[[2-(6-oxo-3-phenyl-pyridazin-1-yl)acetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(6-oxo-3-phenyl-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) 0.50 9.64 -67.39 1 7 -1 104 376.392 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-[3-(2-fluoro-4-methoxy-phenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-[3-(2-fluoro-4-methox…

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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) 0.65 9.03 -71.92 1 8 -1 113 424.408 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.63 8.98 -22.11 1 8 0 100 421.453 9 ↓

Analogs

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Popular Name: (2S)-2-[[2-[3-(2-fluorophenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-[3-(2-fluorophenyl)-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) 0.61 9.72 -71.18 1 7 -1 104 394.382 7 ↓

Analogs

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Popular Name: 2-[3-(2-chlorophenyl)-6-oxo-pyridazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide 2-[3-(2-chlorophenyl)-6-oxo-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) 3.00 8.38 -22.75 1 7 0 82 427.888 8 ↓

Analogs

4968258
4968258

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Popular Name: 2-[3-(2-chlorophenyl)-6-oxo-pyridazin-1-yl]-N-phenethyl-acetamide 2-[3-(2-chlorophenyl)-6-oxo-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) 3.35 9.18 -18.53 1 5 0 64 367.836 6 ↓

Analogs

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Popular Name: (2S)-2-[[2-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-[3-(4-fluorophenyl)-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) 0.66 9.71 -66.69 1 7 -1 104 394.382 7 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]acetamide N-[2-(3,4-dimethoxyphenyl)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) 2.80 8.7 -22.37 1 7 0 82 439.537 9 ↓

Analogs

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Popular Name: (2S)-2-[[2-[3-(4-fluoro-2-methoxy-phenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-[3-(4-fluoro-2-methox…

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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) 0.65 9.3 -69.78 1 8 -1 113 424.408 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.57 9.7 -21.17 1 7 0 90 391.427 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.69 9.84 -23.78 1 7 0 90 409.417 8 ↓

Analogs

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Popular Name: (2S)-2-[[2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-[3-(4-methoxyphenyl)-…

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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) 0.55 8.9 -67.76 1 8 -1 113 406.418 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-[3-(3-methoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-[3-(3-methoxyphenyl)-…

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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) 0.53 8.9 -69.73 1 8 -1 113 406.418 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.60 8.98 -23.17 1 8 0 100 421.453 9 ↓

Parameters Provided:

ring.id = 32961
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 = 32961 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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