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Analogs

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Popular Name: N-isobutyl-5-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine N-isobutyl-5-[(3-isopropyl-1,2,4…

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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) 3.09 4.72 -9.27 1 6 0 77 313.452 7 ↓

Analogs

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Popular Name: 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine 5-[(3-ethyl-1,2,4-oxadiazol-5-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) 1.48 1.94 -10.76 1 6 0 77 257.344 5 ↓

Analogs

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Popular Name: 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine 5-[(3-ethyl-1,2,4-oxadiazol-5-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) 2.36 3.53 -9.74 1 6 0 77 285.398 7 ↓

Analogs

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Popular Name: N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine N-ethyl-5-[(3-ethyl-1,2,4-oxadia…

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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) 1.86 2.79 -9.93 1 6 0 77 271.371 6 ↓

Analogs

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Popular Name: 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine 5-[(3-butyl-1,2,4-oxadiazol-5-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) 2.54 3.48 -10.49 1 6 0 77 285.398 7 ↓

Analogs

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Popular Name: 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine 5-[(3-butyl-1,2,4-oxadiazol-5-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) 2.92 4.33 -9.65 1 6 0 77 299.425 8 ↓

Analogs

43403236
43403236
20909441
20909441

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Popular Name: 5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine 5-[(3-tert-butyl-1,2,4-oxadiazol…

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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) 2.26 1.98 -11.32 2 6 0 91 271.371 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole 5-[(1R)-1-[(5-ethylsulfanyl-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) 3.46 5.12 -6.78 0 5 0 65 316.477 7 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole 5-[(1S)-1-[(5-ethylsulfanyl-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) 3.46 5.12 -6.79 0 5 0 65 316.477 7 ↓

Analogs

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Popular Name: 3-isobutyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole 3-isobutyl-5-(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) 2.25 3.16 -8.89 0 5 0 65 256.356 5 ↓

Analogs

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Popular Name: 3-isopentyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole 3-isopentyl-5-[(5-methylsulfanyl…

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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) 3.50 4.82 -7.9 0 5 0 65 316.477 7 ↓

Analogs

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Popular Name: 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-isopentyl-1,2,4-oxadiazole 5-[(5-ethylsulfanyl-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) 3.87 5.7 -7.58 0 5 0 65 330.504 8 ↓

Analogs

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Popular Name: N-ethyl-5-[(3-isopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine N-ethyl-5-[(3-isopentyl-1,2,4-ox…

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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) 3.13 4.72 -8.88 1 6 0 77 313.452 8 ↓

Analogs

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Popular Name: 3-isopentyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole 3-isopentyl-5-(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) 2.78 3.85 -8.83 0 5 0 65 270.383 6 ↓

Analogs

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Popular Name: 3-isopentyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole 3-isopentyl-5-[(5-methyl-1,3,4-t…

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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) 2.49 4.6 -8.73 0 5 0 65 284.41 6 ↓

Parameters Provided:

ring.id = 11808
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 = 11808 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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