UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,7,8-trimethyl-4-(morpholinomethyl)chromen-2-one 5,7,8-trimethyl-4-(morpholinomet…

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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) 2.77 7.44 -10.97 0 4 0 43 287.359 2 ↓

Analogs

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Popular Name: 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7,8-dihydroxy-chromen-2-one 4-[[(2R,6R)-2,6-dimethylmorpholi…

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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) 1.55 2.64 -19.2 2 6 0 83 305.33 2 ↓
Hi High (pH 8-9.5) 1.55 3.14 -42.89 1 6 -1 86 304.322 2 ↓
Hi High (pH 8-9.5) 1.55 3.22 -49.9 1 6 -1 86 304.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7,8-dihydroxy-chromen-2-one 4-[[(2S,6S)-2,6-dimethylmorpholi…

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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) 1.55 2.91 -19.55 2 6 0 83 305.33 2 ↓
Hi High (pH 8-9.5) 1.55 3.4 -43.52 1 6 -1 86 304.322 2 ↓
Hi High (pH 8-9.5) 1.55 3.49 -50.69 1 6 -1 86 304.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5,7-dimethyl-chromen-2-one 4-[[(2R,6R)-2,6-dimethylmorpholi…

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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) 3.12 8.03 -10.81 0 4 0 43 301.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5,7-dimethyl-chromen-2-one 4-[[(2S,6S)-2,6-dimethylmorpholi…

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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) 3.12 8.01 -11.39 0 4 0 43 301.386 2 ↓

Analogs

33849477
33849477
2160269
2160269

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Popular Name: 7,8-dihydroxy-4-(morpholinomethyl)chromen-2-one 7,8-dihydroxy-4-(morpholinomethy…

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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) 0.83 0.42 -15.19 2 6 0 83 277.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dimethyl-4-(morpholinomethyl)chromen-2-one 7,8-dimethyl-4-(morpholinomethyl…

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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) 2.39 6.16 -10.91 0 4 0 43 273.332 2 ↓

Analogs

20358061
20358061
20358065
20358065
25834669
25834669
25834673
25834673

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6,7-dimethyl-chromen-2-one 4-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 3.12 7.88 -10.53 0 4 0 43 301.386 2 ↓
Lo Low (pH 4.5-6) 3.12 10.23 -53.57 1 4 1 44 302.394 2 ↓

Analogs

25499865
25499865
25499870
25499870

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-ethyl-chromen-2-one 4-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 3.21 7.58 -10.08 0 4 0 43 301.386 3 ↓
Lo Low (pH 4.5-6) 3.21 10.35 -54.4 1 4 1 44 302.394 3 ↓

Analogs

21821993
21821993
21821994
21821994
25834548
25834548
25834553
25834553

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one 4-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 3.71 9.09 -9.89 0 4 0 43 329.44 3 ↓
Lo Low (pH 4.5-6) 3.71 11.43 -53.36 1 4 1 44 330.448 3 ↓

Analogs

21555035
21555035
21555040
21555040
24014471
24014471
24014473
24014473

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7,8-dimethyl-chromen-2-one 4-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 3.12 7.84 -10.78 0 4 0 43 301.386 2 ↓
Lo Low (pH 4.5-6) 3.12 10.19 -53.83 1 4 1 44 302.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethyl-chromen-2-one 4-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 3.21 7.58 -9.76 0 4 0 43 301.386 3 ↓
Lo Low (pH 4.5-6) 3.21 9.79 -51.01 1 4 1 44 302.394 3 ↓

Parameters Provided:

ring.id = 4494
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 = 4494 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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