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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: 2-[2-(morpholinomethyl)thiazol-4-yl]ethanamine 2-[2-(morpholinomethyl)thiazol-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) -0.53 -0.3 -47.35 3 4 1 53 228.341 4 ↓
Lo Low (pH 4.5-6) -0.53 2.03 -94.5 4 4 2 54 229.349 4 ↓

Analogs

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Popular Name: 4-methyl-2-(morpholinomethyl)thiazole-5-carboxylic 4-methyl-2-(morpholinomethyl)thi…

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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) 0.28 1.3 -48.06 0 5 -1 65 241.292 3 ↓
Lo Low (pH 4.5-6) 0.28 3.63 -66.05 1 5 0 67 242.3 3 ↓

Analogs

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Popular Name: 2-[2-(morpholinomethyl)thiazol-4-yl]acetic 2-[2-(morpholinomethyl)thiazol-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) -0.09 1.35 -51 0 5 -1 65 241.292 4 ↓
Lo Low (pH 4.5-6) -0.09 3.68 -63.44 1 5 0 67 242.3 4 ↓

Analogs

35788742
35788742
35788745
35788745
36327592
36327592
36327594
36327594
35778003
35778003

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-4-[[4-(chloromethyl)thiazol-2-yl]methyl]-5-ethyl-2-methyl-morpholine (2R,5R)-4-[[4-(chloromethyl)thia…

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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) 2.29 4.39 -5.12 0 3 0 25 274.817 4 ↓
Lo Low (pH 4.5-6) 2.29 6.28 -33.97 1 3 1 27 275.825 4 ↓

Analogs

35788742
35788742
35788745
35788745
36327592
36327592
36327594
36327594
35778003
35778003

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-4-[[4-(chloromethyl)thiazol-2-yl]methyl]-5-ethyl-2-methyl-morpholine (2R,5S)-4-[[4-(chloromethyl)thia…

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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) 2.29 3.97 -5.68 0 3 0 25 274.817 4 ↓
Lo Low (pH 4.5-6) 2.29 6.13 -34.7 1 3 1 27 275.825 4 ↓

Analogs

35788742
35788742
35788745
35788745
36327592
36327592
36327594
36327594
35778003
35778003

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-4-[[4-(chloromethyl)thiazol-2-yl]methyl]-5-ethyl-2-methyl-morpholine (2S,5R)-4-[[4-(chloromethyl)thia…

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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) 2.29 4.11 -5.43 0 3 0 25 274.817 4 ↓
Lo Low (pH 4.5-6) 2.29 6.31 -34.67 1 3 1 27 275.825 4 ↓

Analogs

35788742
35788742
35788745
35788745
36327592
36327592
36327594
36327594
35778003
35778003

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-4-[[4-(chloromethyl)thiazol-2-yl]methyl]-5-ethyl-2-methyl-morpholine (2S,5S)-4-[[4-(chloromethyl)thia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.29 4.25 -5.29 0 3 0 25 274.817 4 ↓
Lo Low (pH 4.5-6) 2.29 6.1 -34.41 1 3 1 27 275.825 4 ↓

Analogs

35778003
35778003
35778006
35778006
36327592
36327592
36327594
36327594
35788742
35788742

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(chloromethyl)thiazol-2-yl]methyl]-3,3-dimethyl-morpholine 4-[[4-(chloromethyl)thiazol-2-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) 1.87 2.96 -5.65 0 3 0 25 260.79 3 ↓
Lo Low (pH 4.5-6) 1.87 5.04 -32.93 1 3 1 27 261.798 3 ↓

Parameters Provided:

ring.id = 52026
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 = 52026 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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