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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-ethyl-N-[(1S)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo (6R)-2-ethyl-N-[(1S)-1-[5-(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) 1.47 3.36 -53.56 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 1.47 2.34 -15.11 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[(1S)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo (6S)-2-ethyl-N-[(1S)-1-[5-(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) 1.47 3.42 -54.51 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 1.47 2.33 -14.31 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-ethyl-N-[(1R)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo (6R)-2-ethyl-N-[(1R)-1-[5-(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) 1.47 3.4 -54.47 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 1.47 2.31 -13.92 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[(1R)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo (6S)-2-ethyl-N-[(1R)-1-[5-(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) 1.47 3.36 -53.49 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 1.47 2.3 -13.52 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[(1S)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6R)-2-methyl-N-[(1S)-1-[5-(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) 0.90 2.75 -53.77 2 7 1 86 331.425 4 ↓
Hi High (pH 8-9.5) 0.90 1.73 -15.26 1 7 0 82 330.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-methyl-N-[(1S)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6S)-2-methyl-N-[(1S)-1-[5-(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) 0.90 2.81 -54.72 2 7 1 86 331.425 4 ↓
Hi High (pH 8-9.5) 0.90 1.72 -14.49 1 7 0 82 330.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[(1R)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6R)-2-methyl-N-[(1R)-1-[5-(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) 0.90 2.8 -54.78 2 7 1 86 331.425 4 ↓
Hi High (pH 8-9.5) 0.90 1.7 -14.1 1 7 0 82 330.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.90 2.75 -53.77 2 7 1 86 331.425 4 ↓
Hi High (pH 8-9.5) 0.90 1.69 -13.65 1 7 0 82 330.417 4 ↓

Parameters Provided:

ring.id = 494546
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 = 494546 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=494546&filter.purchasability=annotated

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