UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3-bromo-2-thienyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanone 1-(3-bromo-2-thienyl)-2-[(3R)-3-…

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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) 2.84 6.34 -8.71 0 2 0 20 320.277 3 ↓
Mid Mid (pH 6-8) 2.84 8.27 -39.41 1 2 1 22 321.285 3 ↓

Analogs

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Popular Name: 1-(3-bromo-2-thienyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanone 1-(3-bromo-2-thienyl)-2-[(3S)-3-…

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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) 2.84 6.34 -8.7 0 2 0 20 320.277 3 ↓
Mid Mid (pH 6-8) 2.84 8.27 -39.38 1 2 1 22 321.285 3 ↓

Analogs

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Popular Name: 1-(5-bromo-2-thienyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanone 1-(5-bromo-2-thienyl)-2-[(3R)-3-…

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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) 3.04 6.43 -5.62 0 2 0 20 320.277 3 ↓
Mid Mid (pH 6-8) 3.04 8.38 -37.72 1 2 1 22 321.285 3 ↓

Analogs

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Popular Name: 1-(5-bromo-2-thienyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanone 1-(5-bromo-2-thienyl)-2-[(3S)-3-…

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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) 3.04 6.44 -5.63 0 2 0 20 320.277 3 ↓
Mid Mid (pH 6-8) 3.04 8.38 -37.72 1 2 1 22 321.285 3 ↓

Analogs

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Popular Name: 1-(5-chloro-2-thienyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanone 1-(5-chloro-2-thienyl)-2-[(3R)-3…

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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) 2.91 6.33 -5.71 0 2 0 20 275.826 3 ↓
Mid Mid (pH 6-8) 2.91 8.28 -37.68 1 2 1 22 276.834 3 ↓

Analogs

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Popular Name: 1-(5-chloro-2-thienyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanone 1-(5-chloro-2-thienyl)-2-[(3S)-3…

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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) 2.91 6.33 -5.7 0 2 0 20 275.826 3 ↓
Mid Mid (pH 6-8) 2.91 8.28 -37.69 1 2 1 22 276.834 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylthiomorpholin-4-yl]-1-(2-thienyl)ethanone 2-[(3R)-3-methylthiomorpholin-4-…

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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) 2.11 5.72 -7.32 0 2 0 20 241.381 3 ↓
Mid Mid (pH 6-8) 2.11 7.65 -36.38 1 2 1 22 242.389 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylthiomorpholin-4-yl]-1-(2-thienyl)ethanone 2-[(3S)-3-methylthiomorpholin-4-…

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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) 2.11 5.72 -7.32 0 2 0 20 241.381 3 ↓
Mid Mid (pH 6-8) 2.11 7.65 -36.37 1 2 1 22 242.389 3 ↓

Analogs

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Popular Name: 1-(5-methyl-2-thienyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanone 1-(5-methyl-2-thienyl)-2-[(3S)-3…

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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) 2.33 6.53 -7.2 0 2 0 20 255.408 3 ↓
Mid Mid (pH 6-8) 2.33 8.46 -35.88 1 2 1 22 256.416 3 ↓

Analogs

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Popular Name: 1-(5-methyl-2-thienyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanone 1-(5-methyl-2-thienyl)-2-[(3R)-3…

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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) 2.33 6.53 -7.2 0 2 0 20 255.408 3 ↓
Mid Mid (pH 6-8) 2.33 8.46 -35.93 1 2 1 22 256.416 3 ↓

Analogs

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Popular Name: 2-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-1-(2-thienyl)ethanone 2-[(2S,6R)-2,6-dimethylthiomorph…

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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) 2.50 6.5 -7.47 0 2 0 20 255.408 3 ↓
Lo Low (pH 4.5-6) 2.50 8.56 -39.56 1 2 1 22 256.416 3 ↓

Analogs

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Popular Name: 2-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-1-(2-thienyl)ethanone 2-[(2S,6S)-2,6-dimethylthiomorph…

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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) 2.50 6.99 -7.08 0 2 0 20 255.408 3 ↓
Lo Low (pH 4.5-6) 2.50 8.62 -39.04 1 2 1 22 256.416 3 ↓

Analogs

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Popular Name: 2-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-1-(2-thienyl)ethanone 2-[(2R,6R)-2,6-dimethylthiomorph…

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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) 2.50 6.98 -6.67 0 2 0 20 255.408 3 ↓
Lo Low (pH 4.5-6) 2.50 8.61 -38.73 1 2 1 22 256.416 3 ↓

Parameters Provided:

ring.id = 445396
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 = 445396 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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