UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-hydroxy-pyridine-2-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) 1.80 4.88 -60.03 1 5 -1 78 260.298 2 ↓
Hi High (pH 8-9.5) 2.73 2.95 -15.13 2 5 0 78 261.306 1 ↓
Mid Mid (pH 6-8) 2.73 4.56 -37.56 2 5 0 82 261.306 1 ↓

Analogs

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Popular Name: 6-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)-2-methyl-pyridine-3-carboxylic 6-(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) 1.64 6.53 -48.21 1 6 -1 95 302.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)pyridine-2-carboxylic 6-(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) 1.32 5.93 -51.87 1 6 -1 95 288.308 3 ↓

Parameters Provided:

ring.id = 584617
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 = 584617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=584617&filter.purchasability=annotated

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