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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[[4-ethyl-5-(2-furyl)-…

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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) 0.95 8.64 -18.82 0 6 0 70 293.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[[4-ethyl-5-(2-furyl)-…

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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) 0.95 8.61 -18.75 0 6 0 70 293.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[[4-ethyl-5-(2-furyl)-…

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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) 0.95 8.59 -19.3 0 6 0 70 293.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[[4-ethyl-5-(2-furyl)-…

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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) 0.95 8.64 -18.71 0 6 0 70 293.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-3-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[[4-amino-5-(2-furyl)-…

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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) -0.04 5.95 -17.9 2 7 0 96 280.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[[4-amino-5-(2-furyl)-…

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Activity (Go SEA)

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) -0.04 5.87 -18.38 2 7 0 96 280.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[[4-amino-5-(2-furyl)-…

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Activity (Go SEA)

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) -0.04 5.89 -17.5 2 7 0 96 280.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[[4-amino-5-(2-furyl)-…

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Activity (Go SEA)

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) -0.04 5.93 -17.57 2 7 0 96 280.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-3-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[[5-(2-furyl)-4-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) 0.58 7.75 -18.88 0 6 0 70 279.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[[5-(2-furyl)-4-methyl…

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Activity (Go SEA)

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) 0.58 7.67 -19.36 0 6 0 70 279.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[[5-(2-furyl)-4-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) 0.58 7.69 -18.93 0 6 0 70 279.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[[5-(2-furyl)-4-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) 0.58 7.73 -18.95 0 6 0 70 279.321 3 ↓

Parameters Provided:

ring.id = 549384
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 = 549384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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