UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43427588
43427588
43427589
43427589
43427590
43427590
43427591
43427591

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone [(2R,5R)-5-ethyl-2-methyl-morpho…

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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) 2.32 6.46 -8.8 1 4 0 42 288.391 2 ↓

Analogs

43427588
43427588
43427589
43427589
43427590
43427590
43427591
43427591

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone [(2R,5S)-5-ethyl-2-methyl-morpho…

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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) 2.32 5.93 -8.75 1 4 0 42 288.391 2 ↓

Analogs

43427588
43427588
43427589
43427589
43427590
43427590
43427591
43427591

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone [(2S,5R)-5-ethyl-2-methyl-morpho…

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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) 2.32 5.93 -8.6 1 4 0 42 288.391 2 ↓

Analogs

43427588
43427588
43427589
43427589
43427590
43427590
43427591
43427591

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone [(2S,5S)-5-ethyl-2-methyl-morpho…

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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) 2.32 6.48 -8.87 1 4 0 42 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,3-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (3,3-dimethylmorpholin-4-yl)-(1,…

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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) 1.90 5.24 -8.94 1 4 0 42 274.364 1 ↓

Analogs

37813072
37813072
43705578
43705578
43705579
43705579

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone [(2S,6R)-2,6-dimethylmorpholin-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) 1.82 5.49 -9.29 1 4 0 42 274.364 1 ↓

Analogs

37813072
37813072
43705578
43705578
43705579
43705579

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone [(2S,6S)-2,6-dimethylmorpholin-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) 1.82 5.67 -8.96 1 4 0 42 274.364 1 ↓

Analogs

37813072
37813072
43705578
43705578
43705579
43705579

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone [(2R,6R)-2,6-dimethylmorpholin-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) 1.82 5.65 -9.12 1 4 0 42 274.364 1 ↓

Analogs

37809111
37809111
43705578
43705578
43705579
43705579

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone [(2R)-2-methylmorpholin-4-yl]-(1…

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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) 1.46 4.74 -9.42 1 4 0 42 260.337 1 ↓

Analogs

37809111
37809111
43705578
43705578
43705579
43705579

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone [(2S)-2-methylmorpholin-4-yl]-(1…

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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) 1.46 4.74 -9.4 1 4 0 42 260.337 1 ↓

Analogs

46078485
46078485
46078728
46078728
29790160
29790160
29790158
29790158

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3,4-tetrahydroquinolin-6-yl-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone 1,2,3,4-tetrahydroquinolin-6-yl-…

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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) 2.27 6.28 -8.97 1 4 0 42 288.391 1 ↓

Analogs

46078485
46078485
46078728
46078728
29790160
29790160
29790158
29790158

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3,4-tetrahydroquinolin-6-yl-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone 1,2,3,4-tetrahydroquinolin-6-yl-…

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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) 2.27 6.29 -8.89 1 4 0 42 288.391 1 ↓

Parameters Provided:

ring.id = 65369
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 = 65369 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=65369&filter.purchasability=annotated

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