UCSF
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Analogs

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Popular Name: N-(3-pyridylmethyl)-2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethanamine N-(3-pyridylmethyl)-2-([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) 1.00 6.12 -17.43 1 5 0 55 253.309 5 ↓
Lo Low (pH 4.5-6) 1.00 6.56 -46.24 2 5 1 56 254.317 5 ↓

Analogs

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Popular Name: (1R)-1-(3-pyridyl)-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]ethanamine (1R)-1-(3-pyridyl)-N-[2-([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) 1.56 7.04 -14.67 1 5 0 55 267.336 5 ↓
Lo Low (pH 4.5-6) 1.56 7.47 -46.2 2 5 1 56 268.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-pyridyl)-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]ethanamine (1S)-1-(3-pyridyl)-N-[2-([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) 1.56 7 -14.43 1 5 0 55 267.336 5 ↓
Lo Low (pH 4.5-6) 1.56 7.45 -45.84 2 5 1 56 268.344 5 ↓

Parameters Provided:

ring.id = 25301
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 = 25301 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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