UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44686240
44686240
44686242
44686242

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Popular Name: N-[(3,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine N-[(3,6-dimethylimidazo[2,1-b]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) 2.07 7.92 -39 2 4 1 34 293.46 5 ↓

Analogs

44686240
44686240
44686242
44686242

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine N-[(3,6-dimethylimidazo[2,1-b]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) 2.07 7.86 -39.2 2 4 1 34 293.46 5 ↓

Analogs

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Popular Name: 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(6-methylimidazo[2,1-b]thiazol-5-yl)methyl]methanamine 1-[(2R)-1-ethylpyrrolidin-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) 1.85 7.52 -38.38 2 4 1 34 279.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(6-methylimidazo[2,1-b]thiazol-5-yl)methyl]methanamine 1-[(2S)-1-ethylpyrrolidin-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) 1.85 7.45 -38.75 2 4 1 34 279.433 5 ↓

Analogs

44686516
44686516
44686518
44686518

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Popular Name: 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(6-methoxyimidazo[2,1-b]thiazol-5-yl)methyl]methanamine 1-[(2R)-1-ethylpyrrolidin-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) 1.81 5.15 -36.54 2 5 1 43 295.432 6 ↓

Analogs

44686516
44686516
44686518
44686518

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(6-methoxyimidazo[2,1-b]thiazol-5-yl)methyl]methanamine 1-[(2S)-1-ethylpyrrolidin-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) 1.81 5.08 -35.58 2 5 1 43 295.432 6 ↓

Parameters Provided:

ring.id = 300827
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 = 300827 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=300827&filter.purchasability=annotated

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