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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: (3R)-3-(6-amino-3,4-dihydro-2H-quinolin-1-yl)tetrahydrofuran-2-one (3R)-3-(6-amino-3,4-dihydro-2H-q…

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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) 0.44 5.1 -10.25 2 4 0 56 232.283 1 ↓
Lo Low (pH 4.5-6) 0.44 4.96 -48.48 3 4 1 57 233.291 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(6-amino-3,4-dihydro-2H-quinolin-1-yl)tetrahydrofuran-2-one (3S)-3-(6-amino-3,4-dihydro-2H-q…

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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) 0.44 5.08 -9.87 2 4 0 56 232.283 1 ↓
Lo Low (pH 4.5-6) 0.44 4.95 -48.63 3 4 1 57 233.291 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]tetrahydrofuran-2-one (3R)-3-[(3S)-3-amino-3,4-dihydro…

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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) -0.27 4.44 -56.92 3 4 1 57 233.291 1 ↓
Hi High (pH 8-9.5) -0.27 4.13 -10.19 2 4 0 56 232.283 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]tetrahydrofuran-2-one (3R)-3-[(3R)-3-amino-3,4-dihydro…

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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) -0.27 4.49 -49.83 3 4 1 57 233.291 1 ↓
Hi High (pH 8-9.5) -0.27 4.19 -10.21 2 4 0 56 232.283 1 ↓

Parameters Provided:

ring.id = 367506
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 = 367506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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