UCSF
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Analogs

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Popular Name: 4-cyclopentylsulfanyl-N-[(1S)-1-(2-pyridyl)ethyl]aniline 4-cyclopentylsulfanyl-N-[(1S)-1-…

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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) 4.42 9.95 -5.15 1 2 0 25 298.455 5 ↓
Lo Low (pH 4.5-6) 4.42 10.12 -34.99 2 2 1 26 299.463 5 ↓

Analogs

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Popular Name: 4-cyclopentylsulfanyl-N-[(1R)-1-(2-pyridyl)ethyl]aniline 4-cyclopentylsulfanyl-N-[(1R)-1-…

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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) 4.42 9.91 -5.21 1 2 0 25 298.455 5 ↓
Lo Low (pH 4.5-6) 4.42 10.08 -35.04 2 2 1 26 299.463 5 ↓

Analogs

30183821
30183821
36391518
36391518

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopentylsulfanyl-N-(2-pyridylmethyl)aniline 4-cyclopentylsulfanyl-N-(2-pyrid…

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) 3.86 8.92 -5.5 1 2 0 25 284.428 5 ↓
Lo Low (pH 4.5-6) 3.86 9.33 -34.98 2 2 1 26 285.436 5 ↓

Parameters Provided:

ring.id = 140870
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 = 140870 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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