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Analogs

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Popular Name: 2-cyclohexylidene-N-(1,3,4-thiadiazol-2-yl)acetamide 2-cyclohexylidene-N-(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) 2.21 5.01 -13.89 1 4 0 55 223.301 2 ↓
Hi High (pH 8-9.5) 2.39 4.3 -47.46 0 4 -1 61 222.293 2 ↓

Analogs

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Popular Name: 2-cyclohexylidene-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide 2-cyclohexylidene-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) 1.92 5.75 -14.03 1 4 0 55 237.328 2 ↓
Hi High (pH 8-9.5) 2.11 5.04 -49.8 0 4 -1 61 236.32 2 ↓

Analogs

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Popular Name: 2-cyclohexylidene-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide 2-cyclohexylidene-N-(5-ethyl-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) 2.50 6.51 -13.55 1 4 0 55 251.355 3 ↓
Hi High (pH 8-9.5) 2.68 5.79 -49.74 0 4 -1 61 250.347 3 ↓

Analogs

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Popular Name: 2-cyclohexylidene-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide 2-cyclohexylidene-N-(5-isobutyl-…

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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 7.76 -13.12 1 4 0 55 279.409 4 ↓
Hi High (pH 8-9.5) 3.43 7.16 -49.82 0 4 -1 61 278.401 4 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylidene-acetamide 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) 3.56 8.06 -13.17 1 4 0 55 279.409 5 ↓
Hi High (pH 8-9.5) 3.74 7.35 -49.38 0 4 -1 61 278.401 5 ↓

Analogs

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Popular Name: 2-cyclohexylidene-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide 2-cyclohexylidene-N-(5-pentyl-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) 4.06 8.84 -13.11 1 4 0 55 293.436 6 ↓
Hi High (pH 8-9.5) 4.25 8.12 -49.29 0 4 -1 61 292.428 6 ↓

Analogs

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Popular Name: 2-cyclohexylidene-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]acetamide 2-cyclohexylidene-N-[5-(1-ethylp…

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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 8.39 -12.89 1 4 0 55 293.436 5 ↓
Hi High (pH 8-9.5) 3.85 7.68 -50.6 0 4 -1 61 292.428 5 ↓

Analogs

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Popular Name: 2-cyclohexylidene-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide 2-cyclohexylidene-N-(5-isopropyl…

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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 7.12 -13.15 1 4 0 55 265.382 3 ↓
Hi High (pH 8-9.5) 3.16 6.41 -49.91 0 4 -1 61 264.374 3 ↓

Analogs

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Popular Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylidene-acetamide 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) 3.65 7.61 -13.2 1 4 0 55 279.409 3 ↓
Hi High (pH 8-9.5) 3.83 6.9 -50.92 0 4 -1 61 278.401 3 ↓

Analogs

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Popular Name: 2-cyclohexylidene-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide 2-cyclohexylidene-N-[5-(methanes…

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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) 1.56 2.85 -55.16 1 7 -1 103 315.4 4 ↓
Lo Low (pH 4.5-6) 1.56 2.76 -20.45 2 7 0 101 316.408 4 ↓

Parameters Provided:

ring.id = 439291
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 = 439291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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