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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine 1-methyl-N-(1,3-thiazol-5-ylmeth…

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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) 0.82 2.95 -36.59 2 3 1 29 198.315 3 ↓
Hi High (pH 8-9.5) 0.82 0.34 -4.25 1 3 0 28 197.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine 1-methyl-N-(1,3-thiazol-5-ylmeth…

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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) 0.82 2.93 -37.05 2 3 1 29 198.315 3 ↓
Hi High (pH 8-9.5) 0.82 0.29 -4.36 1 3 0 28 197.307 3 ↓

Analogs

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Popular Name: (3R)-N-[(2-tert-butylthiazol-5-yl)methyl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2-tert-butylthiazol-5-y…

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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) 2.25 5.46 -37.3 2 3 1 29 254.423 4 ↓
Hi High (pH 8-9.5) 2.25 2.94 -3.96 1 3 0 28 253.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2-tert-butylthiazol-5-yl)methyl]-1-methyl-pyrrolidin-3-amine (3S)-N-[(2-tert-butylthiazol-5-y…

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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) 2.25 5.51 -36.41 2 3 1 29 254.423 4 ↓
Hi High (pH 8-9.5) 2.25 2.96 -4.37 1 3 0 28 253.415 4 ↓

Parameters Provided:

ring.id = 154357
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 = 154357 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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