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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[[(3R)-2,3-dihydro-1,4-be…

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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) 1.48 7.93 -52.46 1 5 0 63 277.32 3 ↓
Hi High (pH 8-9.5) 1.48 5.41 -53.56 0 5 -1 62 276.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[[(3R)-2,3-dihydro-1,4-be…

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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) 1.48 8.02 -48.65 1 5 0 63 277.32 3 ↓
Hi High (pH 8-9.5) 1.48 5.52 -49.25 0 5 -1 62 276.312 3 ↓

Analogs

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Popular Name: (3S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[[(3R)-2,3-dihydro-1,4-be…

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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) 1.81 8.44 -49.62 1 5 0 63 291.347 4 ↓
Hi High (pH 8-9.5) 1.81 5.87 -54.44 0 5 -1 62 290.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[[(3R)-2,3-dihydro-1,4-be…

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) 1.81 8.39 -47.22 1 5 0 63 291.347 4 ↓
Hi High (pH 8-9.5) 1.81 5.81 -45.68 0 5 -1 62 290.339 4 ↓

Parameters Provided:

ring.id = 9509
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 = 9509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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