UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-methyl-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]piperidin-4-amine 1-methyl-N-[2-([1,2,4]triazolo[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) 1.25 7.41 -49.14 2 5 1 47 260.365 4 ↓
Lo Low (pH 4.5-6) 1.25 8.7 -124.25 3 5 2 51 261.373 4 ↓
Lo Low (pH 4.5-6) 1.25 6.28 -57.23 2 5 1 50 260.365 4 ↓

Analogs

45650704
45650704
45650706
45650706

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Popular Name: 1-isopropyl-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]piperidin-4-amine 1-isopropyl-N-[2-([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) 1.93 8.39 -47.5 2 5 1 47 288.419 5 ↓
Mid Mid (pH 6-8) 1.93 7.42 -56.81 2 5 1 50 288.419 5 ↓
Lo Low (pH 4.5-6) 1.93 9.68 -124.99 3 5 2 51 289.427 5 ↓

Analogs

45650704
45650704
45650706
45650706

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Popular Name: 1-ethyl-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]piperidin-4-amine 1-ethyl-N-[2-([1,2,4]triazolo[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) 1.63 8.01 -48.06 2 5 1 47 274.392 5 ↓
Mid Mid (pH 6-8) 1.63 6.94 -57.07 2 5 1 50 274.392 5 ↓
Lo Low (pH 4.5-6) 1.63 9.29 -124.53 3 5 2 51 275.4 5 ↓

Analogs

45650704
45650704
45650706
45650706

Draw Identity 99% 90% 80% 70%

Popular Name: 1-propyl-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]piperidin-4-amine 1-propyl-N-[2-([1,2,4]triazolo[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) 2.13 8.73 -48.84 2 5 1 47 288.419 6 ↓
Mid Mid (pH 6-8) 2.13 7.67 -57.18 2 5 1 50 288.419 6 ↓
Lo Low (pH 4.5-6) 2.13 10.02 -126.47 3 5 2 51 289.427 6 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine 1-prop-2-ynyl-N-[2-([1,2,4]triaz…

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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) 1.42 7.5 -56.64 2 5 1 50 284.387 5 ↓

Analogs

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Popular Name: 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]piperidine-1-carboxamide 4-[2-([1,2,4]triazolo[4,3-a]pyri…

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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) 0.53 4.98 -65.79 4 7 1 93 289.363 4 ↓

Parameters Provided:

ring.id = 25288
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 = 25288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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