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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-isopentyl-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide N-isopentyl-2-[4-(1-phenylpyrazo…

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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) 3.24 10.76 -48.16 2 5 1 51 353.49 7 ↓
Hi High (pH 8-9.5) 3.24 8.52 -14.23 1 5 0 50 352.482 7 ↓

Analogs

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Popular Name: (2R)-1-[4-[1-(4-isopropylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (2R)-1-[4-[1-(4-isopropylphenyl)…

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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) 3.23 9.63 -41.86 2 4 1 42 326.464 5 ↓
Hi High (pH 8-9.5) 3.23 7.3 -7.72 1 4 0 41 325.456 5 ↓

Analogs

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Popular Name: (2S)-1-[4-[1-(4-isopropylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (2S)-1-[4-[1-(4-isopropylphenyl)…

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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) 3.23 9.53 -42.02 2 4 1 42 326.464 5 ↓
Hi High (pH 8-9.5) 3.23 7.19 -7.74 1 4 0 41 325.456 5 ↓

Analogs

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{4-nitrophenyl}acetamide N-(5-ethyl-1,3,4-thiadiazol-2-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) 3.16 11.99 -44.11 1 3 1 22 300.401 5 ↓
Mid Mid (pH 6-8) 3.16 9.71 -7.16 0 3 0 21 299.393 5 ↓

Analogs

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Popular Name: 4-chloro-2-nitro-N-(1,3-thiazol-2-yl)benzamide 4-chloro-2-nitro-N-(1,3-thiazol-…

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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) 1.50 10.72 -45.18 1 5 1 43 325.436 4 ↓
Mid Mid (pH 6-8) 1.50 8.52 -12.97 0 5 0 41 324.428 4 ↓

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) 1.45 7.93 -53.96 3 7 1 92 355.418 7 ↓
Mid Mid (pH 6-8) 1.45 5.71 -19.43 2 7 0 90 354.41 7 ↓

Analogs

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Popular Name: 3-[4-[1-(3-chloro-2-methyl-phenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide 3-[4-[1-(3-chloro-2-methyl-pheny…

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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) 2.23 8.31 -47.88 3 5 1 65 345.854 5 ↓
Mid Mid (pH 6-8) 2.23 6.04 -11.33 2 5 0 64 344.846 5 ↓

Analogs

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Popular Name: 2-[4-[1-(2-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide 2-[4-[1-(2-methoxyphenyl)pyrazol…

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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) 0.93 6.01 -48.7 3 6 1 75 313.381 5 ↓
Mid Mid (pH 6-8) 0.93 3.8 -16.13 2 6 0 73 312.373 5 ↓

Analogs

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Popular Name: 2-[4-[1-(2-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethylurea 2-[4-[1-(2-methoxyphenyl)pyrazol…

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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) 1.26 5.29 -54.33 4 7 1 87 342.423 6 ↓
Hi High (pH 8-9.5) 1.26 3.02 -17.12 3 7 0 85 341.415 6 ↓

Analogs

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Popular Name: 2-[4-[1-(3-chloro-2-methyl-phenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide 2-[4-[1-(3-chloro-2-methyl-pheny…

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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) 1.96 7.77 -46.64 3 5 1 65 331.827 4 ↓
Mid Mid (pH 6-8) 1.96 5.56 -12.98 2 5 0 64 330.819 4 ↓

Analogs

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Popular Name: 1-but-2-ynyl-4-[1-(2-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine 1-but-2-ynyl-4-[1-(2-methoxyphen…

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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) 3.17 8.97 -10.92 0 4 0 30 307.397 4 ↓
Mid Mid (pH 6-8) 3.17 11.27 -43.61 1 4 1 31 308.405 4 ↓

Parameters Provided:

ring.id = 88613
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 = 88613 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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