UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12217753
12217753
12217754
12217754

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Popular Name: [5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-dimethylaminopy [5-cyclopropyl-1-(8-methoxy-5,6-…

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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) 1.97 0.97 -51.66 1 8 1 78 459.574 5 ↓

Analogs

12217753
12217753
12217754
12217754

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3S)-3-dimethylaminopy [5-cyclopropyl-1-(8-methoxy-5,6-…

Find On: PubMed — Wikipedia — Google

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) 1.97 0.97 -51.69 1 8 1 78 459.574 5 ↓

Analogs

12217754
12217754
11812784
11812784
11812785
11812785

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-diethylaminopyr [5-cyclopropyl-1-(8-methoxy-5,6-…

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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) 2.72 1.05 -49.41 1 8 1 78 487.628 7 ↓

Analogs

12217753
12217753
11812784
11812784

Draw Identity 99% 90% 80% 70%

Popular Name: [5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3S)-3-diethylaminopyr [5-cyclopropyl-1-(8-methoxy-5,6-…

Find On: PubMed — Wikipedia — Google

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) 2.72 1.02 -49.42 1 8 1 78 487.628 7 ↓

Parameters Provided:

ring.id = 45947
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 = 45947 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=45947&filter.purchasability=annotated

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