UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41777276
41777276

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Popular Name: methyl methyl

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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) 0.09 3.05 -11.22 1 7 0 87 286.309 4 ↓
Hi High (pH 8-9.5) 0.28 0.34 -38.26 0 7 -1 93 285.301 4 ↓

Analogs

41777275
41777275

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Popular Name: methyl methyl

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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) 0.09 3.05 -11.22 1 7 0 87 286.309 4 ↓
Hi High (pH 8-9.5) 0.28 0.34 -38.21 0 7 -1 93 285.301 4 ↓

Analogs

41785190
41785190

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Popular Name: (2S)-N-(4-acetylthiazol-2-yl)-1,4-dioxane-2-carboxamide (2S)-N-(4-acetylthiazol-2-yl)-1,…

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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) -0.06 2.38 -11.11 1 6 0 78 256.283 3 ↓
Hi High (pH 8-9.5) 0.12 -0.33 -36.36 0 6 -1 84 255.275 3 ↓

Analogs

41785188
41785188

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Popular Name: (2R)-N-(4-acetylthiazol-2-yl)-1,4-dioxane-2-carboxamide (2R)-N-(4-acetylthiazol-2-yl)-1,…

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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) -0.06 2.38 -11.1 1 6 0 78 256.283 3 ↓
Hi High (pH 8-9.5) 0.12 -0.32 -36.3 0 6 -1 84 255.275 3 ↓

Parameters Provided:

ring.id = 572965
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 = 572965 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=572965&filter.purchasability=annotated

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