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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: N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-methyl-piperidin-4-amine N-[3-chloro-2-(1,2,4-triazol-1-y…

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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 9.69 -42.35 2 5 1 47 292.794 3 ↓

Analogs

45654001
45654001

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Popular Name: N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-ethyl-piperidin-4-amine N-[3-chloro-2-(1,2,4-triazol-1-y…

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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) 3.06 10.36 -41.52 2 5 1 47 306.821 4 ↓

Analogs

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Popular Name: 1-[4-[2-(1,2,4-triazol-1-yl)anilino]-1-piperidyl]ethanone 1-[4-[2-(1,2,4-triazol-1-yl)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) 1.20 8.55 -13.77 1 6 0 63 285.351 3 ↓

Analogs

45653621
45653621
45653623
45653623

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Popular Name: 1-prop-2-ynyl-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine 1-prop-2-ynyl-N-[2-(1,2,4-triazo…

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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 10.77 -41.88 2 5 1 47 282.371 4 ↓
Mid Mid (pH 6-8) 2.00 8.49 -8.24 1 5 0 46 281.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1,2,4-triazol-1-yl)anilino]piperidine-1-carboxamide 4-[2-(1,2,4-triazol-1-yl)anilino…

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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) 1.12 5.97 -13.6 3 7 0 89 286.339 3 ↓

Parameters Provided:

ring.id = 140647
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 = 140647 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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