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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(morpholin-4-yl)thiolan-3-yl]methanamine [3-(morpholin-4-yl)thiolan-3-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) -0.29 0.4 -51.55 3 3 1 40 203.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(morpholin-4-yl)thiolan-3-yl]methanamine [3-(morpholin-4-yl)thiolan-3-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) -0.29 0.28 -52.05 3 3 1 40 203.331 2 ↓

Analogs

41193249
41193249

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[[(3R)-3-morpholinotetrahydrothiophen-3-yl]methyl]urea 1-ethyl-3-[[(3R)-3-morpholinotet…

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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) 0.72 0.48 -9.8 2 5 0 54 273.402 4 ↓
Lo Low (pH 4.5-6) 0.72 2.63 -44 3 5 1 55 274.41 4 ↓

Analogs

47617473
47617473
47617474
47617474
47676262
47676262
60894823
60894823
41193246
41193246

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[[(3S)-3-morpholinotetrahydrothiophen-3-yl]methyl]urea 1-ethyl-3-[[(3S)-3-morpholinotet…

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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) 0.72 0.94 -8.35 2 5 0 54 273.402 4 ↓
Lo Low (pH 4.5-6) 0.72 2.92 -42.97 3 5 1 55 274.41 4 ↓

Analogs

41199333
41199333

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Popular Name: 1-[[(3R)-3-morpholinotetrahydrothiophen-3-yl]methyl]-3-(2,2,2-trifluoroethyl)urea 1-[[(3R)-3-morpholinotetrahydrot…

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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) 1.26 1.29 -7.82 2 5 0 54 327.372 5 ↓
Lo Low (pH 4.5-6) 1.26 3.22 -42.19 3 5 1 55 328.38 5 ↓

Analogs

41199330
41199330

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-morpholinotetrahydrothiophen-3-yl]methyl]-3-(2,2,2-trifluoroethyl)urea 1-[[(3S)-3-morpholinotetrahydrot…

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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) 1.26 1.56 -8.44 2 5 0 54 327.372 5 ↓
Lo Low (pH 4.5-6) 1.26 3.41 -45.64 3 5 1 55 328.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(3R)-3-ethylmorpholin-4-yl]tetrahydrothiophene-3-carboxylic (3S)-3-[(3R)-3-ethylmorpholin-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) -0.96 5.34 -31.51 1 4 0 54 245.344 3 ↓
Mid Mid (pH 6-8) -0.96 3.43 -45.04 0 4 -1 53 244.336 3 ↓

Analogs

35783495
35783495
35783497
35783497
36325936
36325936
36325935
36325935
19482928
19482928

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Popular Name: [(3S)-3-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]tetrahydrothiophen-3-yl]methanamine [(3S)-3-[(2R,5R)-5-ethyl-2-methy…

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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) 0.94 2.4 -44.9 3 3 1 40 245.412 3 ↓

Analogs

35783495
35783495
35783497
35783497
36325936
36325936
36325935
36325935
19482928
19482928

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]tetrahydrothiophen-3-yl]methanamine [(3S)-3-[(2R,5S)-5-ethyl-2-methy…

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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) 0.94 1.92 -49.38 3 3 1 40 245.412 3 ↓

Analogs

35783495
35783495
35783497
35783497
36325936
36325936
36325935
36325935
19482928
19482928

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]tetrahydrothiophen-3-yl]methanamine [(3S)-3-[(2S,5R)-5-ethyl-2-methy…

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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) 0.94 2.14 -45.09 3 3 1 40 245.412 3 ↓

Analogs

35783495
35783495
35783497
35783497
36325936
36325936
36325935
36325935
19482928
19482928

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]tetrahydrothiophen-3-yl]methanamine [(3S)-3-[(2S,5S)-5-ethyl-2-methy…

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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) 0.94 2.17 -49.49 3 3 1 40 245.412 3 ↓

Analogs

35774882
35774882
35774884
35774884
36325935
36325935
36325936
36325936
35783495
35783495

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(3,3-dimethylmorpholin-4-yl)tetrahydrothiophen-3-yl]methanamine [(3S)-3-(3,3-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) 0.52 0.96 -46.42 3 3 1 40 231.385 2 ↓

Analogs

35774882
35774882
35774884
35774884
36325935
36325935
36325936
36325936
35783495
35783495

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(3,3-dimethylmorpholin-4-yl)tetrahydrothiophen-3-yl]methanamine [(3R)-3-(3,3-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) 0.52 0.79 -49.04 3 3 1 40 231.385 2 ↓

Parameters Provided:

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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 = 47553 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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