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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

16406543
16406543
36611778
36611778
3374843
3374843
3510663
3510663

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Popular Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-acetamide 2-(4-cyano-2-ethoxy-phenoxy)-N-(…

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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) 1.91 2.87 -37.25 1 8 0 98 406.442 7 ↓

Analogs

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Popular Name: 2,3,5-trichloro-6-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethoxy]benzoic 2,3,5-trichloro-6-[2-[(1,5-dimet…

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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) 3.58 10.36 -85.16 1 8 -1 105 483.715 6 ↓

Analogs

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Popular Name: 2-[(1R)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethoxy]benzoic 2-[(1R)-2-[(1,5-dimethyl-3-oxo-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) 2.49 9.33 -98.62 1 8 -1 105 394.407 6 ↓

Analogs

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Popular Name: 2-[(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethoxy]benzoic 2-[(1S)-2-[(1,5-dimethyl-3-oxo-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) 2.49 9.45 -102.49 1 8 -1 105 394.407 6 ↓

Analogs

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Popular Name: 4-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[(1,5-dimethyl-3-oxo-2-phen…

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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) 1.69 8.47 -79.02 1 9 -1 115 410.406 7 ↓

Analogs

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Popular Name: 4-[(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1S)-2-[(1,5-dimethyl-3-oxo-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) 2.05 8.6 -75.93 1 9 -1 115 424.433 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1R)-2-[(1,5-dimethyl-3-oxo-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) 2.05 8.76 -78.67 1 9 -1 115 424.433 7 ↓

Analogs

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Popular Name: 4-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(1,5-dimethyl-3-oxo-2-phen…

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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) 2.02 8.84 -159.86 1 10 -2 146 423.381 7 ↓

Analogs

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Popular Name: 4-[(1R)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarb 4-[(1R)-2-[(1,5-dimethyl-3-oxo-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) 2.38 9.23 -157.97 1 10 -2 146 437.408 7 ↓

Analogs

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Popular Name: 4-[(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarb 4-[(1S)-2-[(1,5-dimethyl-3-oxo-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) 2.38 9.25 -156.59 1 10 -2 146 437.408 7 ↓

Analogs

13035445
13035445

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Popular Name: 3,5-dichloro-4-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[(1,5-dimethyl…

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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) 3.31 9.48 -66.82 1 8 -1 105 449.27 6 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[(1R)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethoxy]benzo 3,5-dichloro-4-[(1R)-2-[(1,5-dim…

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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 10.37 -67.06 1 8 -1 105 463.297 6 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethoxy]benzo 3,5-dichloro-4-[(1S)-2-[(1,5-dim…

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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 10.34 -69.09 1 8 -1 105 463.297 6 ↓

Analogs

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Popular Name: (2R)-2-(3-tert-butylphenoxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide (2R)-2-(3-tert-butylphenoxy)-N-(…

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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) 4.23 11.47 -30.39 1 6 0 65 407.514 6 ↓
Hi High (pH 8-9.5) 4.42 10.23 -76.72 0 6 -1 72 406.506 6 ↓

Analogs

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Popular Name: (2S)-2-(3-tert-butylphenoxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide (2S)-2-(3-tert-butylphenoxy)-N-(…

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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) 4.23 11.46 -31.48 1 6 0 65 407.514 6 ↓
Hi High (pH 8-9.5) 4.42 10.25 -75.69 0 6 -1 72 406.506 6 ↓

Parameters Provided:

ring.id = 3390
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 = 3390 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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