UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(3R)-3-methylthiomorpholin-4-yl]furan-2-carbaldehyde 5-[(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) 1.93 5.65 -10.36 0 3 0 33 211.286 2 ↓

Analogs

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Popular Name: 5-[(3S)-3-methylthiomorpholin-4-yl]furan-2-carbaldehyde 5-[(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) 1.93 5.65 -10.35 0 3 0 33 211.286 2 ↓

Analogs

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Popular Name: 5-[(3R)-3-methylthiomorpholin-4-yl]furan-2-carboxylic 5-[(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) 1.71 4.57 -55.9 0 4 -1 57 226.277 2 ↓

Analogs

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Popular Name: 5-[(3S)-3-methylthiomorpholin-4-yl]furan-2-carboxylic 5-[(3S)-3-methylthiomorpholin-4-…

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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) 1.71 4.57 -55.93 0 4 -1 57 226.277 2 ↓

Analogs

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Popular Name: 5-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]furan-2-carbaldehyde 5-[(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) 2.32 6.47 -11.18 0 3 0 33 225.313 2 ↓

Analogs

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Popular Name: 5-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]furan-2-carbaldehyde 5-[(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) 2.32 6.82 -10.75 0 3 0 33 225.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]furan-2-carbaldehyde 5-[(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) 2.32 6.8 -11.17 0 3 0 33 225.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]furan-2-carboxylic 5-[(2S,6R)-2,6-dimethylthiomorph…

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) 2.11 5.34 -55.44 0 4 -1 57 240.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]furan-2-carboxylic 5-[(2S,6S)-2,6-dimethylthiomorph…

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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) 2.11 5.69 -55.35 0 4 -1 57 240.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]furan-2-carboxylic 5-[(2R,6R)-2,6-dimethylthiomorph…

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) 2.11 5.67 -55.93 0 4 -1 57 240.304 2 ↓

Parameters Provided:

ring.id = 445364
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 = 445364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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