UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43424563
43424563
43424564
43424564
43424752
43424752
43424753
43424753

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Popular Name: 5-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1,3-benzothiazol-4-amine 5-[(2R,5R)-5-ethyl-2-methyl-morp…

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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) 2.94 4.97 -4.83 2 4 0 51 277.393 2 ↓

Analogs

43424563
43424563
43424564
43424564
43424752
43424752
43424753
43424753

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1,3-benzothiazol-4-amine 5-[(2R,5S)-5-ethyl-2-methyl-morp…

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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) 2.94 4.55 -5.02 2 4 0 51 277.393 2 ↓

Analogs

43424563
43424563
43424564
43424564
43424752
43424752
43424753
43424753

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1,3-benzothiazol-4-amine 5-[(2S,5R)-5-ethyl-2-methyl-morp…

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) 2.94 4.45 -5.25 2 4 0 51 277.393 2 ↓

Analogs

43424563
43424563
43424564
43424564
43424752
43424752
43424753
43424753

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1,3-benzothiazol-4-amine 5-[(2S,5S)-5-ethyl-2-methyl-morp…

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) 2.94 4.93 -4.83 2 4 0 51 277.393 2 ↓

Analogs

43424555
43424555
43424556
43424556
43424746
43424746
43424747
43424747

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-methyl-1,3-benzothiazol-6-amine 5-[(2R,5R)-5-ethyl-2-methyl-morp…

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) 2.65 5.62 -6.78 2 4 0 51 291.42 2 ↓

Analogs

43424555
43424555
43424556
43424556
43424746
43424746
43424747
43424747

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-methyl-1,3-benzothiazol-6-amine 5-[(2R,5S)-5-ethyl-2-methyl-morp…

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) 2.65 5.19 -7.2 2 4 0 51 291.42 2 ↓

Analogs

43424555
43424555
43424556
43424556
43424746
43424746
43424747
43424747

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-methyl-1,3-benzothiazol-6-amine 5-[(2S,5R)-5-ethyl-2-methyl-morp…

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) 2.65 5.1 -6.91 2 4 0 51 291.42 2 ↓

Analogs

43424555
43424555
43424556
43424556
43424746
43424746
43424747
43424747

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-methyl-1,3-benzothiazol-6-amine 5-[(2S,5S)-5-ethyl-2-methyl-morp…

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) 2.65 5.58 -6.8 2 4 0 51 291.42 2 ↓

Analogs

35774245
35774245
35774247
35774247
36322908
36322908
36322909
36322909
35783669
35783669

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,3-dimethylmorpholin-4-yl)-1,3-benzothiazol-4-amine 5-(3,3-dimethylmorpholin-4-yl)-1…

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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) 2.52 3.78 -5.06 2 4 0 51 263.366 1 ↓

Parameters Provided:

ring.id = 64185
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 = 64185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=64185&filter.purchasability=annotated

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