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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: 3-[[[(1R)-1-(3-pyridyl)ethyl]amino]methyl]quinolin-2-ol 3-[[[(1R)-1-(3-pyridyl)ethyl]ami…

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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) 1.37 5.37 -43.68 3 4 1 62 280.351 4 ↓
Hi High (pH 8-9.5) 1.37 4.14 -14.27 2 4 0 58 279.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S)-1-(3-pyridyl)ethyl]amino]methyl]quinolin-2-ol 3-[[[(1S)-1-(3-pyridyl)ethyl]ami…

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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) 1.37 5.38 -45.32 3 4 1 62 280.351 4 ↓
Hi High (pH 8-9.5) 1.37 4.12 -14.58 2 4 0 58 279.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-N-(3-pyridylmethyl)propionamide N-[(2-keto-6,7-dimethoxy-1H-quin…

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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) 0.88 0.26 -23.91 1 7 0 84 381.432 7 ↓
Lo Low (pH 4.5-6) 0.88 0.37 -63.07 2 7 1 85 382.44 7 ↓

Analogs

39287339
39287339
39287338
39287338
39287337
39287337
39287336
39287336
39287335
39287335

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-[[[(1R)-1-methylpropyl]-(3-pyridylmethyl)amino]methyl]quinolin-2-one 1-methyl-3-[[[(1R)-1-methylpropy…

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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) 2.78 10.79 -43.11 1 4 1 39 336.459 6 ↓
Mid Mid (pH 6-8) 2.78 8.96 -10.97 0 4 0 38 335.451 6 ↓

Analogs

39287339
39287339
39287338
39287338
39287337
39287337
39287336
39287336
39287335
39287335

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-[[[(1S)-1-methylpropyl]-(3-pyridylmethyl)amino]methyl]quinolin-2-one 1-methyl-3-[[[(1S)-1-methylpropy…

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) 2.78 10.46 -38.81 1 4 1 39 336.459 6 ↓
Mid Mid (pH 6-8) 2.78 8.8 -12.74 0 4 0 38 335.451 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[isopropyl(3-pyridylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one 3-[[isopropyl(3-pyridylmethyl)am…

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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) 2.15 8.51 -43.23 2 4 1 50 322.432 5 ↓
Mid Mid (pH 6-8) 2.15 6.92 -9.42 1 4 0 49 321.424 5 ↓

Parameters Provided:

ring.id = 25228
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 = 25228 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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