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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-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-triazole-4-carboxamide N-(5-methyl-1,3,4-thiadiazol-2-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) -0.65 -0.03 -13.11 2 7 0 96 210.222 2 ↓
Hi High (pH 8-9.5) -0.59 -1.91 -109.08 0 7 -2 101 208.206 2 ↓
Mid Mid (pH 6-8) -0.65 -0.05 -39.9 1 7 -1 95 209.214 2 ↓

Analogs

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-triazole-4-carboxamide 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) -0.08 0.73 -12.58 2 7 0 96 224.249 3 ↓
Hi High (pH 8-9.5) -0.01 -1.16 -109.19 0 7 -2 101 222.233 3 ↓
Mid Mid (pH 6-8) -0.08 0.71 -39.23 1 7 -1 95 223.241 3 ↓

Analogs

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Popular Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1H-triazole-4-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) 0.66 1.98 -12.15 2 7 0 96 252.303 4 ↓
Hi High (pH 8-9.5) 0.73 0.09 -110.14 0 7 -2 101 250.287 4 ↓
Mid Mid (pH 6-8) 0.66 1.96 -39.01 1 7 -1 95 251.295 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) 0.59 2.12 -12.63 2 9 0 123 314.352 7 ↓
Hi High (pH 8-9.5) 0.66 0.25 -104.8 0 9 -2 127 312.336 7 ↓
Mid Mid (pH 6-8) 0.59 2.1 -37.78 1 9 -1 121 313.344 7 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1H-triazole-4-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) 0.98 2.28 -12.17 2 7 0 96 252.303 5 ↓
Hi High (pH 8-9.5) 1.05 0.39 -108.94 0 7 -2 101 250.287 5 ↓
Mid Mid (pH 6-8) 0.98 2.26 -38.69 1 7 -1 95 251.295 5 ↓

Analogs

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Popular Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1H-triazole-4-carboxamide N-(5-pentyl-1,3,4-thiadiazol-2-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) 1.49 3.06 -12.15 2 7 0 96 266.33 6 ↓
Hi High (pH 8-9.5) 1.55 1.17 -108.89 0 7 -2 101 264.314 6 ↓
Mid Mid (pH 6-8) 1.49 3.04 -38.69 1 7 -1 95 265.322 6 ↓

Analogs

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Popular Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-1H-triazole-4-carboxamide N-[5-(1-ethylpropyl)-1,3,4-thiad…

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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) 1.09 2.61 -11.91 2 7 0 96 266.33 5 ↓
Hi High (pH 8-9.5) 1.16 0.74 -112.65 0 7 -2 101 264.314 5 ↓
Mid Mid (pH 6-8) 1.09 2.61 -39.67 1 7 -1 95 265.322 5 ↓

Analogs

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Popular Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1H-triazole-4-carboxamide N-(5-isopropyl-1,3,4-thiadiazol-…

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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) 0.40 1.33 -12.16 2 7 0 96 238.276 3 ↓
Hi High (pH 8-9.5) 0.47 -0.55 -109.67 0 7 -2 101 236.26 3 ↓
Mid Mid (pH 6-8) 0.40 1.31 -38.97 1 7 -1 95 237.268 3 ↓

Analogs

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Popular Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1H-triazole-4-carboxamide N-(5-tert-butyl-1,3,4-thiadiazol…

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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) 1.07 1.82 -12.18 2 7 0 96 252.303 3 ↓
Hi High (pH 8-9.5) 1.14 -0.06 -111.18 0 7 -2 101 250.287 3 ↓
Mid Mid (pH 6-8) 1.07 1.8 -39.14 1 7 -1 95 251.295 3 ↓

Parameters Provided:

ring.id = 541249
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 = 541249 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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