UCSF
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Analogs

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Popular Name: 2-cyclopentylsulfanyl-N'-hydroxy-5,6,7,8-tetrahydroquinoline-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) 2.69 5.67 -6.9 3 4 0 72 291.42 3 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carboxamidine 2-cyclopentylsulfanyl-5,6,7,8-te…

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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) 2.77 6.76 -30.41 4 3 1 65 276.429 3 ↓

Analogs

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Popular Name: (2-cyclopentylsulfanyl-5,6,7,8-tetrahydroquinolin-3-yl)methanamine (2-cyclopentylsulfanyl-5,6,7,8-t…

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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) 3.56 7.23 -42.22 3 2 1 41 263.43 3 ↓
Hi High (pH 8-9.5) 3.56 6.83 -4.04 2 2 0 39 262.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carboxylic 2-cyclopentylsulfanyl-5,6,7,8-te…

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) 3.95 9.73 -50.97 0 3 -1 53 276.381 3 ↓
Lo Low (pH 4.5-6) 3.95 10.03 -36.28 1 3 0 54 277.389 3 ↓

Parameters Provided:

ring.id = 284408
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 = 284408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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