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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: 4-ethyl-5-(N-ethyl-3-methyl-anilino)-1,2,4-triazole-3-thiol 4-ethyl-5-(N-ethyl-3-methyl-anil…

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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) 2.74 11.11 -10.88 1 4 0 37 262.382 4 ↓

Analogs

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Popular Name: 5-(N-ethyl-3-methyl-anilino)-4-propyl-1,2,4-triazole-3-thiol 5-(N-ethyl-3-methyl-anilino)-4-p…

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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) 3.25 11.85 -10.47 1 4 0 37 276.409 5 ↓
Mid Mid (pH 6-8) 3.97 11.28 -47.2 0 4 -1 34 275.401 5 ↓

Analogs

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Popular Name: 5-(N-ethyl-3-methyl-anilino)-4-methyl-1,2,4-triazole-3-thiol 5-(N-ethyl-3-methyl-anilino)-4-m…

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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) 2.37 10.43 -11.15 1 4 0 37 248.355 3 ↓

Analogs

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Popular Name: 5-(N-ethyl-3-methyl-anilino)-4-isopropyl-1,2,4-triazole-3-thiol 5-(N-ethyl-3-methyl-anilino)-4-i…

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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) 3.11 10.95 -8.78 1 4 0 37 276.409 4 ↓

Analogs

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Popular Name: 4-ethyl-5-(N-methylanilino)-1,2,4-triazole-3-thiol 4-ethyl-5-(N-methylanilino)-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) 1.94 9.72 -11.52 1 4 0 37 234.328 3 ↓

Analogs

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Popular Name: 5-(N-methylanilino)-4-propyl-1,2,4-triazole-3-thiol 5-(N-methylanilino)-4-propyl-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) 2.44 10.48 -11.29 1 4 0 37 248.355 4 ↓
Mid Mid (pH 6-8) 3.17 9.83 -47.09 0 4 -1 34 247.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-5-(N-methylanilino)-1,2,4-triazole-3-thiol 4-methyl-5-(N-methylanilino)-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) 1.57 8.83 -11.65 1 4 0 37 220.301 2 ↓

Analogs

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Popular Name: 4-isopropyl-5-(N-methylanilino)-1,2,4-triazole-3-thiol 4-isopropyl-5-(N-methylanilino)-…

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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) 2.31 9.89 -10.47 1 4 0 37 248.355 3 ↓

Analogs

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Popular Name: 4-ethyl-5-(N-ethyl-2-methyl-anilino)-1,2,4-triazole-3-thiol 4-ethyl-5-(N-ethyl-2-methyl-anil…

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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) 2.72 11.72 -9.21 1 4 0 37 262.382 4 ↓

Analogs

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Popular Name: 5-(N-ethyl-2-methyl-anilino)-4-propyl-1,2,4-triazole-3-thiol 5-(N-ethyl-2-methyl-anilino)-4-p…

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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) 3.22 12.34 -9.25 1 4 0 37 276.409 5 ↓
Mid Mid (pH 6-8) 3.95 12.32 -48.63 0 4 -1 34 275.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(N-ethyl-2-methyl-anilino)-4-methyl-1,2,4-triazole-3-thiol 5-(N-ethyl-2-methyl-anilino)-4-m…

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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) 2.34 10.38 -9.17 1 4 0 37 248.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(N-ethyl-2-methyl-anilino)-4-isopropyl-1,2,4-triazole-3-thiol 5-(N-ethyl-2-methyl-anilino)-4-i…

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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) 3.08 11.56 -8.72 1 4 0 37 276.409 4 ↓

Analogs

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Popular Name: 4-ethyl-5-(N-ethylanilino)-1,2,4-triazole-3-thiol 4-ethyl-5-(N-ethylanilino)-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) 2.32 10.44 -11.08 1 4 0 37 248.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(N-ethylanilino)-4-propyl-1,2,4-triazole-3-thiol 5-(N-ethylanilino)-4-propyl-1,2,…

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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) 2.82 11.16 -10.65 1 4 0 37 262.382 5 ↓
Mid Mid (pH 6-8) 3.55 10.52 -47.71 0 4 -1 34 261.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(N-ethylanilino)-4-methyl-1,2,4-triazole-3-thiol 5-(N-ethylanilino)-4-methyl-1,2,…

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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) 1.94 9.76 -11.37 1 4 0 37 234.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(N-ethylanilino)-4-isopropyl-1,2,4-triazole-3-thiol 5-(N-ethylanilino)-4-isopropyl-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) 2.68 10.3 -8.86 1 4 0 37 262.382 4 ↓

Parameters Provided:

ring.id = 11921
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 = 11921 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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