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Analogs

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Popular Name: 2-cyclopentylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-cyclopentylsulfanyl-6,7-dihydr…

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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) 3.62 8.99 -6.46 0 2 0 37 244.363 2 ↓

Analogs

43408180
43408180

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Popular Name: 2-cyclopentylsulfanyl-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-cyclopentylsulfanyl-N'-hydroxy…

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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) 2.18 5.09 -7.71 3 4 0 72 277.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-cyclopentylsulfanyl-6,7-dihydr…

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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) 2.25 6.18 -30.51 4 3 1 65 262.402 3 ↓

Analogs

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Popular Name: (2-cyclopentylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanamine (2-cyclopentylsulfanyl-6,7-dihyd…

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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) 3.05 6.65 -42.48 3 2 1 41 249.403 3 ↓
Hi High (pH 8-9.5) 3.05 6.25 -4.71 2 2 0 39 248.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic 2-cyclopentylsulfanyl-6,7-dihydr…

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) 3.44 9.13 -51.91 0 3 -1 53 262.354 3 ↓
Lo Low (pH 4.5-6) 3.44 9.45 -37.32 1 3 0 54 263.362 3 ↓

Parameters Provided:

ring.id = 284389
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 = 284389 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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