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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 2-(2-morpholinoethylsulfanyl)pyridin-3-amine 2-(2-morpholinoethylsulfanyl)pyr…

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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) 0.95 1.22 -6.16 2 4 0 51 239.344 4 ↓
Mid Mid (pH 6-8) 0.95 3.5 -36.55 3 4 1 53 240.352 4 ↓
Lo Low (pH 4.5-6) 0.95 3.91 -91.64 4 4 2 54 241.36 4 ↓

Analogs

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Popular Name: 6-[(2-morpholin-4-ylethyl)thio]pyridin-3-amine 6-[(2-morpholin-4-ylethyl)thio]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) 1.17 1.16 -6.19 2 4 0 51 239.344 4 ↓
Mid Mid (pH 6-8) 1.17 3.43 -36.01 3 4 1 53 240.352 4 ↓
Lo Low (pH 4.5-6) 1.17 3.84 -90.91 4 4 2 54 241.36 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(2-morpholinoethylsulfanyl)pyridine-3-carboxylic 4,6-dimethyl-2-(2-morpholinoethy…

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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) 1.85 5.1 -54.07 0 5 -1 65 295.384 5 ↓
Mid Mid (pH 6-8) 1.85 7.38 -65.88 1 5 0 67 296.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-morpholinoethylsulfanyl)pyridine-3-carboxylic 6-(2-morpholinoethylsulfanyl)pyr…

Find On: PubMed — Wikipedia — Google

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) 1.09 3.82 -44.59 0 5 -1 65 267.33 5 ↓
Mid Mid (pH 6-8) 1.09 6.09 -67.3 1 5 0 67 268.338 5 ↓

Parameters Provided:

ring.id = 545690
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 = 545690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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