UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)quinazoline 4-(1-methyl-6,7-dihydro-4H-imida…

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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) 0.89 10.15 -37.07 1 5 1 48 266.328 1 ↓
Hi High (pH 8-9.5) 0.89 9.68 -12.59 0 5 0 47 265.32 1 ↓
Lo Low (pH 4.5-6) 0.89 10.62 -83.51 2 5 2 49 267.336 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-isopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)quinazoline 4-(2-isopropyl-1-methyl-6,7-dihy…

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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) 2.88 11.13 -31.2 1 5 1 48 308.409 2 ↓
Hi High (pH 8-9.5) 2.88 10.57 -12.35 0 5 0 47 307.401 2 ↓
Lo Low (pH 4.5-6) 2.88 11.56 -79.99 2 5 2 49 309.417 2 ↓

Parameters Provided:

ring.id = 353940
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 = 353940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=353940&filter.purchasability=annotated

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