UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[cyclopropyl-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic 2-[cyclopropyl-[(5-oxothiazolo[3…

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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) -0.47 7.23 -37.05 1 6 0 79 279.321 5 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic 2-[cyclopropyl-[(3-methyl-5-oxo-…

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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) -0.25 6.41 -41.2 1 6 0 79 293.348 5 ↓
Hi High (pH 8-9.5) -0.25 6.01 -52.54 0 6 -1 78 292.34 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.43 6.88 -30.7 1 6 1 65 308.383 7 ↓
Hi High (pH 8-9.5) 1.43 6.48 -14.35 0 6 0 64 307.375 7 ↓
Lo Low (pH 4.5-6) 1.43 8.23 -46.4 1 6 1 65 308.383 7 ↓

Parameters Provided:

ring.id = 571247
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 = 571247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=571247&filter.purchasability=annotated

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