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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: (6R)-2-methyl-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5- (6R)-2-methyl-N-[[3-(2-thienyl)-…

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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) 1.03 4.76 -62.59 2 7 1 86 317.398 4 ↓
Hi High (pH 8-9.5) 1.03 3.58 -15.36 1 7 0 82 316.39 4 ↓

Analogs

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Popular Name: (6S)-2-methyl-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5- (6S)-2-methyl-N-[[3-(2-thienyl)-…

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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) 1.03 4.76 -62.37 2 7 1 86 317.398 4 ↓
Hi High (pH 8-9.5) 1.03 3.6 -14.72 1 7 0 82 316.39 4 ↓

Analogs

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Popular Name: (6R)-2-methyl-N-[(1S)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6R)-2-methyl-N-[(1S)-1-[3-(2-th…

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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) 1.59 5.24 -58.11 2 7 1 86 331.425 4 ↓
Hi High (pH 8-9.5) 1.59 4.23 -15.91 1 7 0 82 330.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-methyl-N-[(1S)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6S)-2-methyl-N-[(1S)-1-[3-(2-th…

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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) 1.59 5.22 -59.33 2 7 1 86 331.425 4 ↓
Hi High (pH 8-9.5) 1.59 4.22 -14.62 1 7 0 82 330.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[(1R)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6R)-2-methyl-N-[(1R)-1-[3-(2-th…

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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) 1.59 5.22 -59.26 2 7 1 86 331.425 4 ↓
Hi High (pH 8-9.5) 1.59 4.21 -13.74 1 7 0 82 330.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-methyl-N-[(1R)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6S)-2-methyl-N-[(1R)-1-[3-(2-th…

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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) 1.59 5.24 -58.06 2 7 1 86 331.425 4 ↓
Hi High (pH 8-9.5) 1.59 4.2 -13.86 1 7 0 82 330.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(1S)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]p (6R)-N-[(1S)-1-[3-(2-thienyl)-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) 1.50 5.35 -57.68 2 7 1 86 317.398 4 ↓
Hi High (pH 8-9.5) 1.50 4.32 -13.24 1 7 0 82 316.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(1R)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]p (6R)-N-[(1R)-1-[3-(2-thienyl)-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) 1.50 5.33 -58.89 2 7 1 86 317.398 4 ↓
Hi High (pH 8-9.5) 1.50 4.37 -14.28 1 7 0 82 316.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(1S)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]p (6S)-N-[(1S)-1-[3-(2-thienyl)-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) 1.50 5.33 -58.83 2 7 1 86 317.398 4 ↓
Hi High (pH 8-9.5) 1.50 4.38 -12.42 1 7 0 82 316.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(1R)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]p (6S)-N-[(1R)-1-[3-(2-thienyl)-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) 1.50 5.35 -57.68 2 7 1 86 317.398 4 ↓
Hi High (pH 8-9.5) 1.50 4.34 -15.3 1 7 0 82 316.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6R)-N-[[3-(2-thienyl)-1,2,4-oxa…

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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) 0.94 4.87 -62.1 2 7 1 86 303.371 4 ↓
Hi High (pH 8-9.5) 0.94 3.71 -13.86 1 7 0 82 302.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6S)-N-[[3-(2-thienyl)-1,2,4-oxa…

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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) 0.94 4.87 -61.93 2 7 1 86 303.371 4 ↓
Hi High (pH 8-9.5) 0.94 3.69 -14.33 1 7 0 82 302.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-ethyl-N-[(1S)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo (6R)-2-ethyl-N-[(1S)-1-[3-(2-thi…

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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) 2.16 5.84 -57.83 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 2.16 4.84 -15.72 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[(1S)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo (6S)-2-ethyl-N-[(1S)-1-[3-(2-thi…

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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) 2.16 5.84 -59.06 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 2.16 4.83 -14.32 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-ethyl-N-[(1R)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo (6R)-2-ethyl-N-[(1R)-1-[3-(2-thi…

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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) 2.16 5.82 -58.95 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 2.16 4.82 -13.5 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[(1R)-1-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo (6S)-2-ethyl-N-[(1R)-1-[3-(2-thi…

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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) 2.16 5.84 -57.79 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 2.16 4.81 -13.65 1 7 0 82 344.444 5 ↓

Parameters Provided:

ring.id = 382787
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 = 382787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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