UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S)-N-(4,5-dihydrothiazol-2-yl)-3-[(Z)-2-methylpent-2-enoyl]thiazolidine-4-carboxamide (4S)-N-(4,5-dihydrothiazol-2-yl)…

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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) 1.37 5.46 -15.55 1 5 0 62 313.448 3 ↓

Analogs

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Popular Name: (4R)-N-(4,5-dihydrothiazol-2-yl)-3-[(Z)-2-methylpent-2-enoyl]thiazolidine-4-carboxamide (4R)-N-(4,5-dihydrothiazol-2-yl)…

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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) 1.37 5.4 -17.16 1 5 0 62 313.448 3 ↓

Analogs

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Popular Name: (4S)-N-(4,5-dihydrothiazol-2-yl)-3-(3,3-dimethylbutanoyl)thiazolidine-4-carboxamide (4S)-N-(4,5-dihydrothiazol-2-yl)…

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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) 1.40 5.31 -13.35 1 5 0 62 315.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(4,5-dihydrothiazol-2-yl)-3-(3,3-dimethylbutanoyl)thiazolidine-4-carboxamide (4R)-N-(4,5-dihydrothiazol-2-yl)…

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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) 1.40 5.16 -14.73 1 5 0 62 315.464 3 ↓

Parameters Provided:

ring.id = 451396
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 = 451396 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=451396&filter.purchasability=annotated

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