UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1-aminocyclopentyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (1-aminocyclopentyl)-[(3R)-3-met…

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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) 1.26 3.73 -49.84 3 3 1 48 229.369 1 ↓
Hi High (pH 8-9.5) 1.26 3.6 -5.27 2 3 0 46 228.361 1 ↓

Analogs

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Popular Name: (1-aminocyclopentyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (1-aminocyclopentyl)-[(3S)-3-met…

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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) 1.26 4.2 -49.08 3 3 1 48 229.369 1 ↓
Hi High (pH 8-9.5) 1.26 3.97 -5.96 2 3 0 46 228.361 1 ↓

Analogs

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Popular Name: (1-aminocyclopentyl)-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methanone (1-aminocyclopentyl)-[(2S,6R)-2,…

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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) 1.66 4.7 -48.6 3 3 1 48 243.396 1 ↓
Hi High (pH 8-9.5) 1.66 4.7 -6.9 2 3 0 46 242.388 1 ↓

Analogs

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Popular Name: (1-aminocyclopentyl)-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methanone (1-aminocyclopentyl)-[(2S,6S)-2,…

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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) 1.66 4.99 -48.8 3 3 1 48 243.396 1 ↓
Hi High (pH 8-9.5) 1.66 4.77 -5.7 2 3 0 46 242.388 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclopentyl)-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methanone (1-aminocyclopentyl)-[(2R,6R)-2,…

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) 1.66 4.91 -49.1 3 3 1 48 243.396 1 ↓
Hi High (pH 8-9.5) 1.66 4.74 -5.45 2 3 0 46 242.388 1 ↓

Parameters Provided:

ring.id = 445524
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 = 445524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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