UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-[(3R)-3-methylthiomorpholin-4-yl]cyclopentanone (2R)-2-[(3R)-3-methylthiomorphol…

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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) 1.12 6.14 -34.21 1 2 1 22 200.327 1 ↓
Mid Mid (pH 6-8) 1.12 4.19 -5.89 0 2 0 20 199.319 1 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-methylthiomorpholin-4-yl]cyclopentanone (2R)-2-[(3S)-3-methylthiomorphol…

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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) 1.12 6.28 -36.39 1 2 1 22 200.327 1 ↓
Mid Mid (pH 6-8) 1.12 4.33 -6.26 0 2 0 20 199.319 1 ↓

Analogs

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Popular Name: (2R)-2-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]cyclopentanone (2R)-2-[(2S,6R)-2,6-dimethylthio…

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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) 1.52 7.5 -35.85 1 2 1 22 214.354 1 ↓
Mid Mid (pH 6-8) 1.52 5.42 -5.47 0 2 0 20 213.346 1 ↓

Analogs

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Popular Name: (2R)-2-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]cyclopentanone (2R)-2-[(2S,6S)-2,6-dimethylthio…

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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) 1.52 7.56 -35.06 1 2 1 22 214.354 1 ↓
Mid Mid (pH 6-8) 1.52 5.89 -5.26 0 2 0 20 213.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]cyclopentanone (2R)-2-[(2R,6R)-2,6-dimethylthio…

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) 1.52 7.54 -35.19 1 2 1 22 214.354 1 ↓
Mid Mid (pH 6-8) 1.52 5.89 -5.24 0 2 0 20 213.346 1 ↓

Parameters Provided:

ring.id = 445398
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 = 445398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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