UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-methyl-3-(morpholinomethyl)-1H-quinolin-2-one 7-methyl-3-(morpholinomethyl)-1H…

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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) 1.16 3.33 -10.13 1 4 0 45 258.321 2 ↓

Analogs

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Popular Name: 3-[[(3R)-3-isobutylmorpholin-4-yl]methyl]-7-methoxy-1H-quinolin-2-one 3-[[(3R)-3-isobutylmorpholin-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) 2.41 6.15 -9.21 1 5 0 55 330.428 5 ↓

Analogs

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Popular Name: 3-[[(3S)-3-isobutylmorpholin-4-yl]methyl]-7-methoxy-1H-quinolin-2-one 3-[[(3S)-3-isobutylmorpholin-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) 2.41 4.35 -11.19 1 5 0 55 330.428 5 ↓

Analogs

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Popular Name: (2S)-4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-2-carboxamide (2S)-4-[(7-methyl-2-oxo-1H-quino…

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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) -0.12 1.24 -15.61 3 6 0 88 301.346 3 ↓

Analogs

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Popular Name: (2R)-4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-2-carboxamide (2R)-4-[(7-methyl-2-oxo-1H-quino…

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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) -0.12 1.17 -18.85 3 6 0 88 301.346 3 ↓

Analogs

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Popular Name: 7-methylsulfanyl-3-[[(3R)-3-propylmorpholin-4-yl]methyl]-1H-quinolin-2-one 7-methylsulfanyl-3-[[(3R)-3-prop…

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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) 2.57 5.67 -10.66 1 4 0 45 332.469 5 ↓

Analogs

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Popular Name: 7-methylsulfanyl-3-[[(3S)-3-propylmorpholin-4-yl]methyl]-1H-quinolin-2-one 7-methylsulfanyl-3-[[(3S)-3-prop…

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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) 2.57 5.66 -10.78 1 4 0 45 332.469 5 ↓

Analogs

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Popular Name: 3-[[(2R)-2-(aminomethyl)morpholin-4-yl]methyl]-6-methoxy-quinolin-2-ol 3-[[(2R)-2-(aminomethyl)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) -0.44 0.14 -46.18 4 6 1 82 304.37 4 ↓
Hi High (pH 8-9.5) -0.44 -0.31 -11.13 3 6 0 81 303.362 4 ↓

Analogs

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Popular Name: 3-[[(2S)-2-(aminomethyl)morpholin-4-yl]methyl]-6-methoxy-quinolin-2-ol 3-[[(2S)-2-(aminomethyl)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) -0.44 0.11 -48.4 4 6 1 82 304.37 4 ↓
Hi High (pH 8-9.5) -0.44 -0.27 -10.15 3 6 0 81 303.362 4 ↓

Analogs

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Popular Name: (2S)-4-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]morpholine-2-carboxamide (2S)-4-[(6-ethoxy-2-oxo-1H-quino…

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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) -0.13 0.8 -15.76 3 7 0 98 331.372 5 ↓

Analogs

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Popular Name: (2R)-4-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]morpholine-2-carboxamide (2R)-4-[(6-ethoxy-2-oxo-1H-quino…

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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) -0.13 0.72 -18.66 3 7 0 98 331.372 5 ↓

Parameters Provided:

ring.id = 538998
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 = 538998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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