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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-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic 4-amino-2-[2-(4-methyl-1,2,4-tri…

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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) 0.32 5.61 -56.43 3 7 -1 109 260.277 5 ↓
Lo Low (pH 4.5-6) 0.32 3.62 -14.9 4 7 0 106 261.285 5 ↓

Analogs

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Popular Name: 5-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-nitro-4-(trifluoromethyl)aniline 5-chloro-N-[2-(4-methyl-1,2,4-tr…

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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) 2.62 9.27 -13.64 1 7 0 89 349.7 6 ↓

Analogs

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Popular Name: N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-aniline N-[2-(4,5-dimethyl-1,2,4-triazol…

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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) 1.76 7.41 -12.56 1 4 0 43 230.315 4 ↓

Analogs

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Popular Name: N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]aniline N-[2-(4,5-dimethyl-1,2,4-triazol…

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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) 1.31 6.73 -12.5 1 4 0 43 216.288 4 ↓

Analogs

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Popular Name: N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-aniline N-[2-(4,5-dimethyl-1,2,4-triazol…

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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) 1.71 7.53 -12.62 1 4 0 43 230.315 4 ↓

Analogs

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Popular Name: N-[2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-aniline N-[2-(4-ethyl-5-methyl-1,2,4-tri…

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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 8.27 -11.86 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: N-[2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]aniline N-[2-(4-ethyl-5-methyl-1,2,4-tri…

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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) 1.69 7.59 -11.87 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-aniline N-[2-(4-ethyl-5-methyl-1,2,4-tri…

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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) 2.09 8.39 -11.97 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: 4-methyl-N-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]aniline 4-methyl-N-[2-(5-methyl-4-propyl…

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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) 2.64 9.02 -11.29 1 4 0 43 258.369 6 ↓

Analogs

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Popular Name: N-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]aniline N-[2-(5-methyl-4-propyl-1,2,4-tr…

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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) 2.19 8.35 -11.26 1 4 0 43 244.342 6 ↓

Analogs

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Popular Name: 2-methyl-N-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]aniline 2-methyl-N-[2-(5-methyl-4-propyl…

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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) 2.59 9.15 -11.32 1 4 0 43 258.369 6 ↓

Analogs

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Popular Name: N-[2-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-aniline N-[2-(4-isopropyl-5-methyl-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) 2.50 8.49 -11.39 1 4 0 43 258.369 5 ↓

Analogs

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Popular Name: N-[2-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)ethyl]aniline N-[2-(4-isopropyl-5-methyl-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) 2.05 7.8 -11.36 1 4 0 43 244.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-aniline N-[2-(4-isopropyl-5-methyl-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) 2.45 8.62 -11.45 1 4 0 43 258.369 5 ↓

Parameters Provided:

ring.id = 366330
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 = 366330 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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