UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-cyclopropyl-2-thiomorpholino-ethanone 1-cyclopropyl-2-thiomorpholino-e…

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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) 0.77 4.72 -6.33 0 2 0 20 185.292 3 ↓
Mid Mid (pH 6-8) 0.77 6.77 -39.58 1 2 1 22 186.3 3 ↓

Analogs

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

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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) 1.10 5.28 -6.2 0 2 0 20 199.319 3 ↓
Mid Mid (pH 6-8) 1.10 7.22 -36.07 1 2 1 22 200.327 3 ↓

Analogs

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

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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) 1.10 5.29 -6.2 0 2 0 20 199.319 3 ↓
Mid Mid (pH 6-8) 1.10 7.22 -36.05 1 2 1 22 200.327 3 ↓

Analogs

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

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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) 1.50 6.07 -6.37 0 2 0 20 213.346 3 ↓
Mid Mid (pH 6-8) 1.50 8.13 -39.21 1 2 1 22 214.354 3 ↓

Analogs

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

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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) 1.50 6.56 -6.01 0 2 0 20 213.346 3 ↓
Mid Mid (pH 6-8) 1.50 8.19 -38.71 1 2 1 22 214.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.50 6.55 -5.61 0 2 0 20 213.346 3 ↓
Mid Mid (pH 6-8) 1.50 8.18 -38.39 1 2 1 22 214.354 3 ↓

Parameters Provided:

ring.id = 244428
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 = 244428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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