UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-[[cyclohexyl(methyl)amino]methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[[cyclohexyl(methyl)amino]meth…

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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) 2.96 7.1 -30.81 1 4 1 39 292.428 3 ↓
Hi High (pH 8-9.5) 2.96 7.2 -8.7 0 4 0 38 291.42 3 ↓

Analogs

43441863
43441863
43441864
43441864

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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) 2.42 7.86 -34.88 2 6 1 74 350.464 5 ↓
Hi High (pH 8-9.5) 2.42 7.46 -11.41 1 6 0 73 349.456 5 ↓

Analogs

42162785
42162785
42162786
42162786

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Popular Name: 7-[[methyl-(4-methylcyclohexyl)amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[methyl-(4-methylcyclohexyl)a…

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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) 2.51 9.52 -41.69 1 4 1 39 292.428 3 ↓

Parameters Provided:

ring.id = 159316
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 = 159316 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=159316&filter.purchasability=annotated

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