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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: 5,5-dimethyl-2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[methyl-[(3R)-1-m…

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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) 2.98 9.1 -45.83 1 4 1 38 308.471 2 ↓
Hi High (pH 8-9.5) 2.98 6.72 -9.36 0 4 0 36 307.463 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-[methyl-[(3S)-1-m…

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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) 2.98 9.1 -45.33 1 4 1 38 308.471 2 ↓
Hi High (pH 8-9.5) 2.98 6.71 -9.44 0 4 0 36 307.463 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[methyl-[(3S)-1-methyl-3-piper…

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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) 2.10 8.17 -46.28 1 4 1 38 280.417 2 ↓
Hi High (pH 8-9.5) 2.10 5.79 -10.07 0 4 0 36 279.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[methyl-[(3R)-1-methyl-3-piper…

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) 2.10 8.16 -46.09 1 4 1 38 280.417 2 ↓
Hi High (pH 8-9.5) 2.10 5.79 -10.1 0 4 0 36 279.409 2 ↓

Parameters Provided:

ring.id = 157584
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 = 157584 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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