UCSF
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Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(imidazo[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) 0.81 6.89 -21.85 0 7 0 78 296.212 4 ↓

Analogs

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Popular Name: 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]propan-2-amine 2-[1-(imidazo[1,2-a]pyrimidin-2-…

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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) 0.56 5.13 -60.26 3 7 1 89 258.309 3 ↓
Hi High (pH 8-9.5) 0.56 4.87 -22.59 2 7 0 87 257.301 3 ↓

Analogs

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Popular Name: 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(5,7-dimethylimidazo[1,2-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) 1.22 6.25 -58.1 3 7 1 89 286.363 3 ↓
Hi High (pH 8-9.5) 1.22 6 -21.22 2 7 0 87 285.355 3 ↓

Parameters Provided:

ring.id = 103891
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 = 103891 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=103891&filter.purchasability=annotated

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