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

Analogs

35788765
35788765
35788769
35788769
36327579
36327579
36327580
36327580
35778018
35778018

Draw Identity 99% 90% 80% 70%

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

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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) 2.70 5.03 -5.49 0 3 0 25 288.844 5 ↓
Mid Mid (pH 6-8) 2.70 6.88 -38.43 1 3 1 27 289.852 5 ↓

Analogs

35788765
35788765
35788769
35788769
36327579
36327579
36327580
36327580
35778018
35778018

Draw Identity 99% 90% 80% 70%

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

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) 2.70 4.77 -5.89 0 3 0 25 288.844 5 ↓
Mid Mid (pH 6-8) 2.70 6.94 -39.11 1 3 1 27 289.852 5 ↓

Analogs

35788765
35788765
35788769
35788769
36327579
36327579
36327580
36327580
35778018
35778018

Draw Identity 99% 90% 80% 70%

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

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) 2.70 4.75 -5.73 0 3 0 25 288.844 5 ↓
Mid Mid (pH 6-8) 2.70 6.93 -39.01 1 3 1 27 289.852 5 ↓

Analogs

35788765
35788765
35788769
35788769
36327579
36327579
36327580
36327580
35778018
35778018

Draw Identity 99% 90% 80% 70%

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

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) 2.70 5.04 -5.69 0 3 0 25 288.844 5 ↓
Mid Mid (pH 6-8) 2.70 6.9 -38.33 1 3 1 27 289.852 5 ↓

Analogs

35778018
35778018
35778021
35778021
36327579
36327579
36327580
36327580
35788765
35788765

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]-3,3-dimethyl-morpholine 4-[2-[4-(chloromethyl)thiazol-2-…

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) 2.28 3.74 -5.58 0 3 0 25 274.817 4 ↓
Mid Mid (pH 6-8) 2.28 5.85 -37.31 1 3 1 27 275.825 4 ↓

Parameters Provided:

ring.id = 108981
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 = 108981 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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