UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41201027
41201027
41201149
41201149
41201185
41201185
41201301
41201301
41197669
41197669

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Popular Name: N-cyclopropyl-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-propyl-piperidin-4-amine N-cyclopropyl-4-(5,6-dihydro-4H-…

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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) 3.06 7.97 -38.58 2 3 1 29 306.499 5 ↓

Analogs

41201149
41201149
41201185
41201185
41201301
41201301
41197669
41197669
41200988
41200988

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Popular Name: N-cyclopropyl-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-isopropyl-piperidin-4-amine N-cyclopropyl-4-(5,6-dihydro-4H-…

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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) 2.85 8.08 -32.28 2 3 1 29 306.499 4 ↓

Analogs

41201185
41201185
41201301
41201301
41197669
41197669
41200988
41200988
41201027
41201027

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-piperidin-4-amine N-cyclopropyl-4-(5,6-dihydro-4H-…

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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) 2.56 7.23 -38 2 3 1 29 292.472 4 ↓

Analogs

41201301
41201301
41197669
41197669
41200988
41200988
41201027
41201027
41201149
41201149

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-methyl-piperidin-4-amine N-cyclopropyl-4-(5,6-dihydro-4H-…

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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) 2.18 6.55 -39.39 2 3 1 29 278.445 3 ↓

Analogs

41200988
41200988
41201027
41201027
41201149
41201149
41201185
41201185

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)piperidin-4-amine N-cyclopropyl-4-(5,6-dihydro-4H-…

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) 1.58 4.66 -39.98 3 3 1 42 264.418 3 ↓

Parameters Provided:

ring.id = 521759
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 = 521759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=521759&filter.purchasability=annotated

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