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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: 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) 2.41 6.97 -23.8 2 7 0 97 336.417 7 ↓
Mid Mid (pH 6-8) 2.47 5.79 -46.96 1 7 -1 103 335.409 7 ↓

Analogs

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Popular Name: 4-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide 4-acetyl-N-(5-butyl-1,3,4-thiadi…

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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) 2.47 6.83 -23.53 2 6 0 88 320.418 6 ↓
Mid Mid (pH 6-8) 2.54 5.65 -48.03 1 6 -1 94 319.41 6 ↓

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) 2.78 7.89 -23.66 2 7 0 97 350.444 8 ↓
Mid Mid (pH 6-8) 2.85 6.72 -46.9 1 7 -1 103 349.436 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) 2.98 7.72 -18.69 2 7 0 97 350.444 8 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-1H-pyrrole-2-carboxamide N-(5-butyl-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) 2.65 5.56 -21.28 2 5 0 71 284.772 5 ↓
Mid Mid (pH 6-8) 2.72 4.39 -43.99 1 5 -1 77 283.764 5 ↓

Analogs

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Popular Name: 4-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide 4-bromo-N-(5-butyl-1,3,4-thiadia…

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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) 2.79 5.66 -21.2 2 5 0 71 329.223 5 ↓
Mid Mid (pH 6-8) 2.85 4.49 -44 1 5 -1 77 328.215 5 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-1-methyl-pyrrole-2-carboxamide N-(5-butyl-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) 2.72 7.15 -14.82 1 5 0 60 298.799 5 ↓
Mid Mid (pH 6-8) 2.79 6.11 -44.18 0 5 -1 66 297.791 5 ↓

Analogs

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Popular Name: 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide 4-bromo-N-(5-ethyl-1,3,4-thiadia…

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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) 1.72 4.1 -17.08 2 5 0 71 301.169 3 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 1.12 5.08 -22.11 2 8 0 106 374.369 8 ↓

Analogs

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Popular Name: 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-pyrrole-2-carboxamide 4-bromo-N-(5-ethyl-1,3,4-thiadia…

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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) 1.79 5.75 -13.09 1 5 0 60 315.196 3 ↓

Analogs

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Popular Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-pyrrole-2-carboxamide N-(5-isobutyl-1,3,4-thiadiazol-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) 1.80 6.38 -14.17 1 5 0 60 264.354 4 ↓

Analogs

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Popular Name: 4-acetyl-5-methyl-3-propyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide 4-acetyl-5-methyl-3-propyl-N-(1,…

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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) 1.98 5.29 -19.14 2 6 0 88 292.364 5 ↓
Hi High (pH 8-9.5) 2.05 4.06 -48.57 1 6 -1 94 291.356 5 ↓

Analogs

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Popular Name: 4-acetyl-3-ethyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide 4-acetyl-3-ethyl-5-methyl-N-(1,3…

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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) 1.59 4.51 -19.25 2 6 0 88 278.337 4 ↓
Hi High (pH 8-9.5) 1.66 3.28 -48.42 1 6 -1 94 277.329 4 ↓

Analogs

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Popular Name: 4-acetyl-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide 4-acetyl-1-methyl-N-(5-methyl-1,…

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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) 0.31 4.91 -18.41 1 6 0 77 264.31 3 ↓
Hi High (pH 8-9.5) 0.38 3.11 -46.84 0 6 -1 83 263.302 3 ↓

Analogs

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Popular Name: 4-acetyl-3-ethyl-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide 4-acetyl-3-ethyl-5-methyl-N-(5-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) 1.30 5.25 -19.2 2 6 0 88 292.364 4 ↓
Hi High (pH 8-9.5) 1.37 4.02 -50.63 1 6 -1 94 291.356 4 ↓

Parameters Provided:

ring.id = 139060
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 = 139060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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