UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35483777
35483777
35527707
35527707

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Popular Name: N-cyclopropyl-2-[dimethyl(oxo)BLAHyl]acetamide N-cyclopropyl-2-[dimethyl(oxo)BL…

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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) 0.71 7.48 -16.5 1 7 0 81 317.374 3 ↓

Analogs

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Popular Name: ethyl-methyl-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]BLAHone ethyl-methyl-[2-(4-methyl-1-pipe…

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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) 2.21 11.07 -16.67 0 7 0 73 373.482 3 ↓

Analogs

35483777
35483777

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Popular Name: 2-(ethyl-methyl-oxo-BLAHyl)-N-isopropyl-acetamide 2-(ethyl-methyl-oxo-BLAHyl)-N-is…

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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) 1.49 8.18 -16.71 1 7 0 81 333.417 4 ↓

Analogs

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Popular Name: ethyl-isopropyl-methyl-(2-pyridylmethyl)BLAHone ethyl-isopropyl-methyl-(2-pyridy…

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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) 3.27 11.24 -11.98 0 6 0 65 367.478 4 ↓
Lo Low (pH 4.5-6) 3.27 11.65 -34.35 1 6 1 66 368.486 4 ↓

Parameters Provided:

ring.id = 172571
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 = 172571 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=172571&filter.purchasability=annotated

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