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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: (2S)-1-(dimethylamino)-3-[4-[(3-nitro-4-pyridyl)amino]pyrazol-1-yl]propan-2-ol (2S)-1-(dimethylamino)-3-[4-[(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) 0.51 3.69 -46.75 3 9 1 113 307.334 7 ↓
Hi High (pH 8-9.5) 0.51 1.17 -11.17 2 9 0 112 306.326 7 ↓
Mid Mid (pH 6-8) 0.51 4.15 -90.81 4 9 2 114 308.342 7 ↓

Analogs

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Popular Name: (2R)-1-(dimethylamino)-3-[4-[(3-nitro-4-pyridyl)amino]pyrazol-1-yl]propan-2-ol (2R)-1-(dimethylamino)-3-[4-[(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) 0.51 3.47 -46.7 3 9 1 113 307.334 7 ↓
Hi High (pH 8-9.5) 0.51 1.06 -11.84 2 9 0 112 306.326 7 ↓
Mid Mid (pH 6-8) 0.51 3.94 -90.72 4 9 2 114 308.342 7 ↓

Analogs

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Popular Name: 4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-N,N-dimethyl-pyridine-2-carboxamide 4-[[1-(2-methoxyethyl)pyrazol-4-…

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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 3.56 -14.19 1 7 0 72 289.339 6 ↓
Lo Low (pH 4.5-6) 0.90 3.65 -20.83 2 7 0 74 290.347 6 ↓

Analogs

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Popular Name: 4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carboxamide 4-[[1-(2-methoxyethyl)pyrazol-4-…

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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) 0.28 -0.48 -10.66 3 7 0 95 261.285 6 ↓
Mid Mid (pH 6-8) 0.28 -0 -40.74 4 7 1 96 262.293 6 ↓

Analogs

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Popular Name: 4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-N-methyl-pyridine-2-carboxamide 4-[[1-(2-methoxyethyl)pyrazol-4-…

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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 1.01 -13.66 2 7 0 81 275.312 6 ↓
Lo Low (pH 4.5-6) 0.65 1.49 -42.87 3 7 1 82 276.32 6 ↓

Analogs

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Popular Name: N-ethyl-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carboxamide N-ethyl-4-[[1-(2-methoxyethyl)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) 1.03 1.86 -13.3 2 7 0 81 289.339 7 ↓
Lo Low (pH 4.5-6) 1.03 2.34 -42.1 3 7 1 82 290.347 7 ↓

Analogs

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Popular Name: N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine N-[1-(2-methoxyethyl)pyrazol-4-y…

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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) 1.00 3.15 -35.38 2 5 1 53 219.268 5 ↓
Hi High (pH 8-9.5) 1.00 2.67 -7.75 1 5 0 52 218.26 5 ↓

Analogs

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Popular Name: N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitro-pyridin-4-amine N-[1-(2-methoxyethyl)pyrazol-4-y…

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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) 1.11 3.68 -9 1 8 0 98 263.257 6 ↓
Mid Mid (pH 6-8) 1.11 4.15 -45.06 2 8 1 99 264.265 6 ↓

Parameters Provided:

ring.id = 519040
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 = 519040 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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