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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: 2-[[5-[(4-butylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyri 2-[[5-[(4-butylphenyl)amino]-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) 4.82 10.36 -63.74 2 9 -1 137 470.556 9 ↓
Mid Mid (pH 6-8) 5.28 7.9 -129.01 1 9 -2 140 469.548 9 ↓

Analogs

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Popular Name: 2-[[5-[(2-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyri 2-[[5-[(2-ethylphenyl)amino]-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) 3.82 9.01 -63.31 2 9 -1 137 442.502 7 ↓
Mid Mid (pH 6-8) 4.28 6.53 -128.39 1 9 -2 140 441.494 7 ↓

Analogs

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Popular Name: 2-[[5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d] 2-[[5-[(2,6-diethylphenyl)amino]…

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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) 4.69 10.07 -63.3 2 9 -1 137 470.556 8 ↓
Mid Mid (pH 6-8) 5.14 7.6 -128.76 1 9 -2 140 469.548 8 ↓

Analogs

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Popular Name: 2-[[5-[(2-chloro-4,6-dimethyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H- 2-[[5-[(2-chloro-4,6-dimethyl-ph…

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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) 4.39 9.3 -64 2 9 -1 137 476.947 6 ↓
Mid Mid (pH 6-8) 4.84 6.83 -128.98 1 9 -2 140 475.939 6 ↓

Analogs

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Popular Name: 2-[[5-[(3-chloro-4-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo 2-[[5-[(3-chloro-4-methyl-phenyl…

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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) 4.01 8.46 -62.69 2 9 -1 137 462.92 6 ↓
Mid Mid (pH 6-8) 4.47 6 -126.73 1 9 -2 140 461.912 6 ↓

Analogs

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Popular Name: 2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]py 2-[[5-[(3-methoxyphenyl)amino]-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) 2.99 6.71 -67.1 2 10 -1 146 444.474 7 ↓
Mid Mid (pH 6-8) 3.44 4.25 -133.27 1 10 -2 149 443.466 7 ↓

Analogs

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Popular Name: 2-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d 2-[[5-[(2,3-dimethylphenyl)amino…

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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) 3.76 8.79 -63.92 2 9 -1 137 442.502 6 ↓
Mid Mid (pH 6-8) 4.21 6.33 -128.92 1 9 -2 140 441.494 6 ↓

Analogs

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Popular Name: 2-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d 2-[[5-[(3,4-dimethylphenyl)amino…

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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) 3.78 8.57 -63.99 2 9 -1 137 442.502 6 ↓
Mid Mid (pH 6-8) 4.24 6.12 -129.17 1 9 -2 140 441.494 6 ↓

Analogs

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Popular Name: 2-[[5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyr 2-[[5-[(2-fluorophenyl)amino]-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) 3.07 7.61 -62.59 2 9 -1 137 432.438 6 ↓
Mid Mid (pH 6-8) 3.53 5.14 -126.54 1 9 -2 140 431.43 6 ↓

Analogs

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Popular Name: 6-methyl-4-oxo-2-[[5-(p-tolylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-furo[5,4-d]pyrimidine-5 6-methyl-4-oxo-2-[[5-(p-tolylami…

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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) 3.40 8.02 -63.99 2 9 -1 137 428.475 6 ↓
Mid Mid (pH 6-8) 3.86 5.57 -129.04 1 9 -2 140 427.467 6 ↓

Analogs

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Popular Name: 2-[[5-[(4-isopropylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d] 2-[[5-[(4-isopropylphenyl)amino]…

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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) 4.47 9.35 -63.69 2 9 -1 137 456.529 7 ↓
Mid Mid (pH 6-8) 4.92 6.87 -129.04 1 9 -2 140 455.521 7 ↓

Analogs

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Popular Name: 2-[[5-[(2-methoxy-5-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-fur 2-[[5-[(2-methoxy-5-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) 3.39 7.55 -63.93 2 10 -1 146 458.501 7 ↓
Mid Mid (pH 6-8) 3.84 5.08 -129.13 1 10 -2 149 457.493 7 ↓

Analogs

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Popular Name: 2-[[5-[(4-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyr 2-[[5-[(4-ethoxyphenyl)amino]-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) 3.39 7.58 -64.49 2 10 -1 146 458.501 8 ↓
Mid Mid (pH 6-8) 3.84 5.11 -129.2 1 10 -2 149 457.493 8 ↓

Analogs

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Popular Name: 2-[[5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]py 2-[[5-[(2-methoxyphenyl)amino]-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) 2.96 6.92 -63.9 2 10 -1 146 444.474 7 ↓
Mid Mid (pH 6-8) 3.42 4.46 -128.87 1 10 -2 149 443.466 7 ↓

Analogs

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Popular Name: 6-methyl-2-[[5-(m-tolylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-3H-furo[5,4-d]pyrimidine-5 6-methyl-2-[[5-(m-tolylamino)-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) 3.38 8.02 -64.05 2 9 -1 137 428.475 6 ↓
Mid Mid (pH 6-8) 3.84 5.56 -129.24 1 9 -2 140 427.467 6 ↓

Analogs

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Popular Name: 2-[[5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d 2-[[5-[(2,6-dimethylphenyl)amino…

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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) 3.76 8.96 -63.48 2 9 -1 137 442.502 6 ↓
Mid Mid (pH 6-8) 4.21 6.49 -128.48 1 9 -2 140 441.494 6 ↓

Analogs

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Popular Name: 2-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyr 2-[[5-[(2-ethoxyphenyl)amino]-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) 3.34 7.8 -63.52 2 10 -1 146 458.501 8 ↓
Mid Mid (pH 6-8) 3.80 5.33 -128.67 1 10 -2 149 457.493 8 ↓

Analogs

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Popular Name: 2-[[5-[(2,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d 2-[[5-[(2,4-dimethylphenyl)amino…

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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) 3.78 8.89 -63.85 2 9 -1 137 442.502 6 ↓
Mid Mid (pH 6-8) 4.24 6.43 -128.99 1 9 -2 140 441.494 6 ↓

Parameters Provided:

ring.id = 117897
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 = 117897 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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