UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25443202
25443202
25443206
25443206
14246879
14246879
14246880
14246880

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxam N-[(2S)-2-(3,4-dimethoxyphenyl)-…

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) 3.60 6.12 -14.01 1 8 0 82 497.617 9 ↓
Lo Low (pH 4.5-6) 3.60 8.09 -52.77 2 8 1 83 498.625 9 ↓

Analogs

25443202
25443202
25443206
25443206
14246879
14246879
14246880
14246880

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxam N-[(2R)-2-(3,4-dimethoxyphenyl)-…

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) 3.60 6.16 -14.55 1 8 0 82 497.617 9 ↓
Lo Low (pH 4.5-6) 3.60 8.12 -53.45 2 8 1 83 498.625 9 ↓

Analogs

14246880
14246880
22702967
22702967
22702970
22702970
25443202
25443202
25443206
25443206

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxamid N-[(2S)-2-(3,4-dimethoxyphenyl)-…

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) 4.46 8.23 -12.93 1 7 0 73 495.645 9 ↓

Analogs

22702967
22702967
22702970
22702970
25443202
25443202
25443206
25443206
14246879
14246879

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxamid N-[(2R)-2-(3,4-dimethoxyphenyl)-…

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) 4.46 8.27 -13.34 1 7 0 73 495.645 9 ↓

Parameters Provided:

ring.id = 109788
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 = 109788 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=109788&filter.purchasability=annotated

Embed Link to Results