UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11999954
11999954

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Popular Name: 4-methyl-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]quinolin-2-one 4-methyl-1-[(1S)-1-methyl-2-morp…

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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) 1.92 0.04 -19.62 0 5 0 52 300.358 2 ↓

Analogs

11999949
11999949

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Popular Name: 4-methyl-1-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]quinolin-2-one 4-methyl-1-[(1R)-1-methyl-2-morp…

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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) 1.92 0.14 -19.68 0 5 0 52 300.358 2 ↓

Analogs

11999968
11999968

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Popular Name: 4,8-dimethyl-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]quinolin-2-one 4,8-dimethyl-1-[(1S)-1-methyl-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) 2.32 -0.41 -17.91 0 5 0 52 314.385 2 ↓

Analogs

11999962
11999962

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Popular Name: 4,8-dimethyl-1-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]quinolin-2-one 4,8-dimethyl-1-[(1R)-1-methyl-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) 2.32 -0.28 -17.9 0 5 0 52 314.385 2 ↓

Analogs

11999979
11999979

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Popular Name: 4,6,8-trimethyl-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]quinolin-2-one 4,6,8-trimethyl-1-[(1S)-1-methyl…

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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) 2.72 -0.44 -13.72 0 5 0 52 328.412 2 ↓

Analogs

11999977
11999977

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Popular Name: 4,6,8-trimethyl-1-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]quinolin-2-one 4,6,8-trimethyl-1-[(1R)-1-methyl…

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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) 2.72 -0.25 -13.82 0 5 0 52 328.412 2 ↓

Analogs

11999986
11999986
40165912
40165912
40165921
40165921
40165927
40165927
40165928
40165928

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Popular Name: 8-methoxy-4-methyl-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]quinolin-2-one 8-methoxy-4-methyl-1-[(1S)-1-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) 1.92 -0.05 -20.08 0 6 0 61 330.384 3 ↓

Analogs

40165912
40165912
40165921
40165921
40165927
40165927
40165928
40165928
40165929
40165929

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Popular Name: 8-methoxy-4-methyl-1-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]quinolin-2-one 8-methoxy-4-methyl-1-[(1R)-1-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) 1.92 -0.05 -16.84 0 6 0 61 330.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,8-dimethyl-1-(2-morpholino-2-oxo-ethyl)quinolin-2-one 4,8-dimethyl-1-(2-morpholino-2-o…

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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) 1.95 -0.15 -16.27 0 5 0 52 300.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6,8-trimethyl-1-(2-morpholino-2-oxo-ethyl)quinolin-2-one 4,6,8-trimethyl-1-(2-morpholino-…

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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) 2.35 -0.09 -16.08 0 5 0 52 314.385 2 ↓

Analogs

40165912
40165912
40165921
40165921
40165924
40165924
40165925
40165925
40165926
40165926

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Popular Name: 8-methoxy-4-methyl-1-(2-morpholino-2-oxo-ethyl)quinolin-2-one 8-methoxy-4-methyl-1-(2-morpholi…

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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) 1.56 -0.04 -18.13 0 6 0 61 316.357 3 ↓

Parameters Provided:

ring.id = 70126
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 = 70126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=70126&filter.purchasability=annotated

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