UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12025715
12025715

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethyl-pyrazole-4-carb 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 1.05 -0.56 -18.47 0 8 0 82 419.485 4 ↓

Analogs

12025711
12025711

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,5-dimethyl-pyrazole-4-carb 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 1.05 -0.51 -20.4 0 8 0 82 419.485 4 ↓

Analogs

12028534
12028534

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-5-methyl-pyrazole-4-carboxam 1-(5,6-dihydrobenzo[h]quinazolin…

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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) 1.28 -2.46 -18.11 1 8 0 91 405.458 4 ↓

Analogs

12028531
12028531

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methyl-pyrazole-4-carboxam 1-(5,6-dihydrobenzo[h]quinazolin…

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Activity (Go SEA)

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) 1.28 -2.39 -18.01 1 8 0 91 405.458 4 ↓

Parameters Provided:

ring.id = 77147
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 = 77147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77147&filter.purchasability=annotated

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