UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[(R)-amino(tetrahydropyran-4-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino(tetrahydropyran-4-y…

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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) -0.58 4.94 -58.73 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) -0.58 4.65 -7.79 2 4 0 56 274.364 2 ↓

Analogs

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Popular Name: 6-[(S)-amino(tetrahydropyran-4-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino(tetrahydropyran-4-y…

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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) -0.58 4.95 -56.54 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) -0.58 4.62 -8.22 2 4 0 56 274.364 2 ↓

Analogs

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Popular Name: 1-methyl-6-[(R)-methylamino(tetrahydropyran-4-yl)methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(R)-methylamino(tetr…

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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) 1.68 6.63 -52.73 2 4 1 46 289.399 3 ↓
Hi High (pH 8-9.5) 1.68 5.59 -7.85 1 4 0 42 288.391 3 ↓

Analogs

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Popular Name: 1-methyl-6-[(S)-methylamino(tetrahydropyran-4-yl)methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(S)-methylamino(tetr…

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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) 1.68 6.62 -52.64 2 4 1 46 289.399 3 ↓
Hi High (pH 8-9.5) 1.68 6 -7.62 1 4 0 42 288.391 3 ↓

Analogs

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Popular Name: 6-[(R)-hydroxy(tetrahydropyran-4-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy(tetrahydropyran-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) 1.12 4.49 -9.19 1 4 0 50 275.348 2 ↓

Analogs

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Popular Name: 6-[(S)-hydroxy(tetrahydropyran-4-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy(tetrahydropyran-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) 1.12 4.66 -9.26 1 4 0 50 275.348 2 ↓

Analogs

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Popular Name: 6-[(R)-chloro(tetrahydropyran-4-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro(tetrahydropyran-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) 2.50 7.81 -8.95 0 3 0 30 293.794 2 ↓

Analogs

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Popular Name: 6-[(S)-chloro(tetrahydropyran-4-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro(tetrahydropyran-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) 2.50 7.81 -8.99 0 3 0 30 293.794 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo(tetrahydropyran-4-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo(tetrahydropyran-4-y…

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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) 2.63 7.87 -8.71 0 3 0 30 338.245 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo(tetrahydropyran-4-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo(tetrahydropyran-4-y…

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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) 2.63 7.87 -8.77 0 3 0 30 338.245 2 ↓

Parameters Provided:

ring.id = 275873
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 = 275873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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