UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-[[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1R)-1-(2,4-dimethylthiaz…

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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) 1.48 7.36 -57.85 1 5 -1 82 309.411 5 ↓
Lo Low (pH 4.5-6) 1.48 4.89 -14.75 2 5 0 79 310.419 5 ↓

Analogs

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Popular Name: 1-[2-[[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1S)-1-(2,4-dimethylthiaz…

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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) 1.48 7.37 -59.37 1 5 -1 82 309.411 5 ↓
Lo Low (pH 4.5-6) 1.48 4.9 -14.59 2 5 0 79 310.419 5 ↓

Analogs

32611473
32611473
32611474
32611474
32611475
32611475

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Popular Name: 1-[2-[methyl-[(2-methylthiazol-5-yl)methyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[methyl-[(2-methylthiazol-5…

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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) 0.95 8.18 -66.81 0 5 -1 73 295.384 5 ↓
Lo Low (pH 4.5-6) 0.95 5.7 -17.28 1 5 0 71 296.392 5 ↓

Parameters Provided:

ring.id = 510290
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 = 510290 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=510290&filter.purchasability=annotated

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