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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: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1,2,4-triazole-3-thiol 5-(6,7-dimethoxy-3,4-dihydro-1H-…

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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) 0.88 9.14 -15.95 1 6 0 55 306.391 3 ↓

Analogs

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Popular Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethyl-1,2,4-triazole-3-thiol 5-(3,4-dihydro-1H-isoquinolin-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) 1.64 10.62 -11.09 1 4 0 37 260.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-propyl-1,2,4-triazole-3-thiol 5-(3,4-dihydro-1H-isoquinolin-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) 2.14 11.38 -10.74 1 4 0 37 274.393 3 ↓
Mid Mid (pH 6-8) 2.87 11.54 -45.46 0 4 -1 34 273.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1,2,4-triazole-3-thiol 5-(3,4-dihydro-1H-isoquinolin-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) 1.26 9.94 -11.58 1 4 0 37 246.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-isopropyl-1,2,4-triazole-3-thiol 5-(3,4-dihydro-1H-isoquinolin-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) 2.00 10.8 -9.94 1 4 0 37 274.393 2 ↓

Parameters Provided:

ring.id = 114511
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 = 114511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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