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Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-methyl-piperidine-4-carboxamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 1.59 5.33 -46.15 3 4 1 59 266.39 2 ↓

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-ethyl-piperidine-4-carboxamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 1.92 5.82 -47.6 3 4 1 59 280.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-propyl-piperidine-4-carboxamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.48 6.58 -47.9 3 4 1 59 294.444 4 ↓

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-prop-2-ynyl-piperidine-4-carboxamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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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 6.08 -16.79 1 4 0 45 289.404 3 ↓
Mid Mid (pH 6-8) 2.10 8.36 -51.5 2 4 1 46 290.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)piperidine-4-carboxamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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) 1.35 4.93 -53.74 3 4 1 59 252.363 2 ↓

Parameters Provided:

ring.id = 287612
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 = 287612 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=287612&filter.purchasability=annotated

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