UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-3-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(thiomorpholine-…

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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) 0.62 5.66 -42.49 0 5 -1 64 257.335 1 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(thiomorpholine-…

Find On: PubMed — Wikipedia — Google

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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) 0.62 5.86 -46.57 0 5 -1 64 257.335 1 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(thiomorpholine-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) 0.95 6.45 -41.31 0 5 -1 64 271.362 2 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(thiomorpholine-4…

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) 0.95 6.35 -45.44 0 5 -1 64 271.362 2 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(thiomorpholine-…

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) 1.51 7.2 -41.55 0 5 -1 64 285.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(thiomorpholine-…

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) 1.51 7.11 -45.74 0 5 -1 64 285.389 3 ↓

Parameters Provided:

ring.id = 309656
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 = 309656 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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