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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: (3S)-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3S)-3-(5-ethyl-2-methyl-1,2,4-t…

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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) 1.36 5.48 -8.29 1 4 0 43 242.326 2 ↓
Lo Low (pH 4.5-6) 1.36 6.79 -43.76 2 4 1 47 243.334 2 ↓
Lo Low (pH 4.5-6) 1.36 6.03 -29.5 2 4 1 44 243.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3R)-3-(5-ethyl-2-methyl-1,2,4-t…

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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) 1.36 5.53 -7.71 1 4 0 43 242.326 2 ↓
Lo Low (pH 4.5-6) 1.36 6.79 -43.32 2 4 1 47 243.334 2 ↓
Lo Low (pH 4.5-6) 1.36 6.13 -29.81 2 4 1 44 243.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3S)-3-(2-methyl-5-propyl-1,2,4-…

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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) 1.86 6.24 -8.11 1 4 0 43 256.353 3 ↓
Lo Low (pH 4.5-6) 1.86 6.79 -29.7 2 4 1 44 257.361 3 ↓
Lo Low (pH 4.5-6) 1.86 7.56 -43.7 2 4 1 47 257.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3R)-3-(2-methyl-5-propyl-1,2,4-…

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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) 1.86 6.3 -7.5 1 4 0 43 256.353 3 ↓
Lo Low (pH 4.5-6) 1.86 6.9 -29.91 2 4 1 44 257.361 3 ↓
Lo Low (pH 4.5-6) 1.86 7.56 -43.33 2 4 1 47 257.361 3 ↓

Analogs

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Popular Name: (3S)-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3S)-3-(5-isopropyl-2-methyl-1,2…

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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) 1.84 5.92 -8.21 1 4 0 43 256.353 2 ↓
Lo Low (pH 4.5-6) 1.84 7.24 -43.47 2 4 1 47 257.361 2 ↓
Lo Low (pH 4.5-6) 1.84 6.59 -28.34 2 4 1 44 257.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3R)-3-(5-isopropyl-2-methyl-1,2…

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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) 1.84 5.98 -7.54 1 4 0 43 256.353 2 ↓
Lo Low (pH 4.5-6) 1.84 7.24 -43.15 2 4 1 47 257.361 2 ↓
Lo Low (pH 4.5-6) 1.84 6.7 -28.57 2 4 1 44 257.361 2 ↓

Analogs

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Popular Name: (3S)-3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3S)-3-(5-tert-butyl-2-methyl-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) 2.51 6.48 -8.06 1 4 0 43 270.38 2 ↓
Lo Low (pH 4.5-6) 2.51 7.08 -28.18 2 4 1 44 271.388 2 ↓
Lo Low (pH 4.5-6) 2.51 7.79 -43.55 2 4 1 47 271.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3R)-3-(5-tert-butyl-2-methyl-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) 2.51 6.54 -7.39 1 4 0 43 270.38 2 ↓
Lo Low (pH 4.5-6) 2.51 7.79 -43.18 2 4 1 47 271.388 2 ↓
Lo Low (pH 4.5-6) 2.51 7.2 -28.46 2 4 1 44 271.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3S)-3-(5-isobutyl-2-methyl-1,2,…

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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) 2.10 6.76 -7.71 1 4 0 43 270.38 3 ↓
Lo Low (pH 4.5-6) 2.10 7.6 -29.86 2 4 1 44 271.388 3 ↓
Lo Low (pH 4.5-6) 2.10 8.07 -43.53 2 4 1 47 271.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3R)-3-(5-isobutyl-2-methyl-1,2,…

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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) 2.10 6.82 -7.14 1 4 0 43 270.38 3 ↓
Lo Low (pH 4.5-6) 2.10 8.08 -43.22 2 4 1 47 271.388 3 ↓
Lo Low (pH 4.5-6) 2.10 7.71 -29.98 2 4 1 44 271.388 3 ↓

Parameters Provided:

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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 = 143427 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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