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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: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-6-(methylamino)pyridazine-3-carboxamide N-[(1S)-2-(4-fluorophenyl)-1-met…

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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) 1.95 5.46 -36.16 3 5 1 68 289.334 5 ↓
Mid Mid (pH 6-8) 1.95 5.29 -10.79 2 5 0 67 288.326 5 ↓
Lo Low (pH 4.5-6) 1.95 5.51 -35.24 3 5 1 68 289.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-6-(methylamino)pyridazine-3-carboxamide N-[(1R)-2-(4-fluorophenyl)-1-met…

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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) 1.95 5.46 -36.14 3 5 1 68 289.334 5 ↓
Mid Mid (pH 6-8) 1.95 5.29 -10.78 2 5 0 67 288.326 5 ↓
Lo Low (pH 4.5-6) 1.95 5.51 -35.21 3 5 1 68 289.334 5 ↓

Analogs

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Popular Name: 6-amino-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]pyridazine-3-carboxamide 6-amino-N-[(1S)-2-(4-fluoropheny…

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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) 1.57 4.54 -38.68 4 5 1 82 275.307 4 ↓
Mid Mid (pH 6-8) 1.57 4.38 -11.1 3 5 0 81 274.299 4 ↓
Lo Low (pH 4.5-6) 1.57 4.6 -36.87 4 5 1 82 275.307 4 ↓

Analogs

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Popular Name: 6-amino-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]pyridazine-3-carboxamide 6-amino-N-[(1R)-2-(4-fluoropheny…

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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) 1.57 4.55 -38.66 4 5 1 82 275.307 4 ↓
Mid Mid (pH 6-8) 1.57 4.38 -11.14 3 5 0 81 274.299 4 ↓
Lo Low (pH 4.5-6) 1.57 4.6 -36.87 4 5 1 82 275.307 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-6-hydrazino-pyridazine-3-carboxamide N-[(1S)-2-(4-fluorophenyl)-1-met…

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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) 1.33 4.24 -11.99 4 6 0 93 289.314 5 ↓
Lo Low (pH 4.5-6) 1.33 4.46 -37.04 5 6 1 94 290.322 5 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-6-hydrazino-pyridazine-3-carboxamide N-[(1R)-2-(4-fluorophenyl)-1-met…

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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) 1.33 4.24 -12.09 4 6 0 93 289.314 5 ↓
Lo Low (pH 4.5-6) 1.33 4.46 -37.11 5 6 1 94 290.322 5 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2R)-2-dimethylamino-2-(3-flu…

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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) 1.33 3.8 -55.98 2 6 0 82 304.325 5 ↓
Hi High (pH 8-9.5) 1.33 1.51 -36.78 1 6 -1 81 303.317 5 ↓
Lo Low (pH 4.5-6) 0.87 4.62 -53.83 3 6 1 79 305.333 5 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2S)-2-dimethylamino-2-(3-flu…

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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) 1.33 3.5 -55.42 2 6 0 82 304.325 5 ↓
Hi High (pH 8-9.5) 1.33 1.03 -38.11 1 6 -1 81 303.317 5 ↓
Lo Low (pH 4.5-6) 0.87 4.32 -55.81 3 6 1 79 305.333 5 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2S)-2-dimethylamino-2-(4-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) 2.10 4.88 -52.63 2 6 0 82 314.389 6 ↓
Hi High (pH 8-9.5) 2.10 2.42 -36.83 1 6 -1 81 313.381 6 ↓
Lo Low (pH 4.5-6) 1.64 5.7 -52.08 3 6 1 79 315.397 6 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2R)-2-dimethylamino-2-(4-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) 2.10 5.14 -52.55 2 6 0 82 314.389 6 ↓
Hi High (pH 8-9.5) 2.10 2.99 -36.65 1 6 -1 81 313.381 6 ↓
Lo Low (pH 4.5-6) 1.64 5.97 -49.82 3 6 1 79 315.397 6 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2R)-2-hydroxy-2-(4-nitrophen…

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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) 0.35 -0.28 -40.48 2 9 -1 144 303.254 5 ↓
Lo Low (pH 4.5-6) -0.11 0.54 -19.87 3 9 0 141 304.262 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2S)-2-hydroxy-2-(4-nitrophen…

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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) 0.35 -0.39 -40.49 2 9 -1 144 303.254 5 ↓
Lo Low (pH 4.5-6) -0.11 0.43 -19.83 3 9 0 141 304.262 5 ↓

Analogs

25426212
25426212

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[2-(2-fluorophenyl)ethyl]-6-ox…

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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) 1.49 2.09 -39.41 1 5 -1 78 260.248 4 ↓
Lo Low (pH 4.5-6) 1.04 2.91 -12.8 2 5 0 75 261.256 4 ↓

Analogs

21070453
21070453

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2R)-2-(dimethylamino)-2-(3-m…

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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) 1.22 1.47 -65.42 2 7 0 92 316.361 6 ↓
Mid Mid (pH 6-8) 1.22 -0.41 -41.83 1 7 -1 90 315.353 6 ↓
Lo Low (pH 4.5-6) 0.76 3.31 -46.94 3 7 1 89 317.369 6 ↓

Analogs

21070453
21070453

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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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) 1.22 1.48 -65.67 2 7 0 92 316.361 6 ↓
Mid Mid (pH 6-8) 1.22 -0.96 -42.01 1 7 -1 90 315.353 6 ↓
Lo Low (pH 4.5-6) 0.76 3.33 -47.36 3 7 1 89 317.369 6 ↓

Analogs

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Popular Name: N-[2-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[2-(2,4-difluorophenyl)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) 1.63 1.17 -41.89 1 5 -1 78 278.238 4 ↓
Lo Low (pH 4.5-6) 1.18 3.02 -11.25 2 5 0 75 279.246 4 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)-2-ethyl-butyl]-6-oxo-1H-pyridazine-3-carboxamide N-[2-(4-chlorophenyl)-2-ethyl-bu…

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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) 3.67 3.63 -39.9 1 5 -1 78 332.811 6 ↓
Mid Mid (pH 6-8) 3.22 5.48 -9.07 2 5 0 75 333.819 6 ↓

Analogs

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Popular Name: N-[2-(4-hydroxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[2-(4-hydroxyphenyl)ethyl]-6-o…

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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) 0.90 -1.79 -42.41 2 6 -1 98 258.257 4 ↓
Lo Low (pH 4.5-6) 0.44 0.06 -11.79 3 6 0 95 259.265 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(3-fluorophenyl)-2-hydroxy-ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2S)-2-(3-fluorophenyl)-2-hyd…

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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 -2.05 -42.73 2 6 -1 98 276.247 4 ↓
Lo Low (pH 4.5-6) 0.07 -0.19 -11.15 3 6 0 95 277.255 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(3-fluorophenyl)-2-hydroxy-ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(2R)-2-(3-fluorophenyl)-2-hyd…

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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 -1.94 -42.77 2 6 -1 98 276.247 4 ↓
Lo Low (pH 4.5-6) 0.07 -0.1 -11.09 3 6 0 95 277.255 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dichlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[2-(3,5-dichlorophenyl)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) 2.66 2.06 -40.11 1 5 -1 78 311.148 4 ↓
Lo Low (pH 4.5-6) 2.20 3.92 -10.19 2 5 0 75 312.156 4 ↓

Analogs

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Popular Name: N-[2-(3-bromo-4-fluoro-phenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[2-(3-bromo-4-fluoro-phenyl)et…

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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) 2.28 1.72 -41.57 1 5 -1 78 339.144 4 ↓
Lo Low (pH 4.5-6) 1.82 3.57 -12.17 2 5 0 75 340.152 4 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-(o-tolyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(1R)-1-methyl-2-(o-tolyl)ethy…

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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 2.4 -42.67 1 5 -1 78 270.312 4 ↓
Lo Low (pH 4.5-6) 1.65 4.25 -9.66 2 5 0 75 271.32 4 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-(o-tolyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(1S)-1-methyl-2-(o-tolyl)ethy…

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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 2.46 -42.56 1 5 -1 78 270.312 4 ↓
Lo Low (pH 4.5-6) 1.65 4.3 -9.63 2 5 0 75 271.32 4 ↓

Analogs

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Popular Name: N-[2-(2-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[2-(2-chlorophenyl)ethyl]-6-ox…

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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) 2.01 1.47 -41.82 1 5 -1 78 276.703 4 ↓
Lo Low (pH 4.5-6) 1.55 3.33 -9.73 2 5 0 75 277.711 4 ↓

Parameters Provided:

ring.id = 15489
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 15489 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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