UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-dimethylamino-2,2-dimethyl-propyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-py N-(3-dimethylamino-2,2-dimethyl-…

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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) 2.87 1.88 -49.92 2 8 1 86 449.579 7 ↓

Analogs

14958209
14958209
15008899
15008899
20272118
20272118
55344674
55344674
11784045
11784045

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Popular Name: N-(2-diethylaminoethyl)-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazole-4-carboxa N-(2-diethylaminoethyl)-1-(9-met…

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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) 2.46 0.64 -51.69 2 8 1 86 435.552 8 ↓

Analogs

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Popular Name: N,N-diethyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazole-4-carboxamide N,N-diethyl-1-(8-methoxy-5,6-dih…

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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) 2.21 2.02 -17 0 7 0 73 391.475 5 ↓

Analogs

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Popular Name: N-allyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazole-4-carboxamide N-allyl-1-(5,6-dihydrobenzo[h]qu…

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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) 2.29 0.18 -16.73 1 6 0 73 345.406 4 ↓

Analogs

14986004
14986004

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Popular Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-isopropyl-N-(2-methoxyethyl)-5-methyl-pyrazole-4-carboxamid 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) 2.08 1.37 -16.32 0 7 0 73 405.502 6 ↓

Parameters Provided:

ring.id = 58365
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 = 58365 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=58365&filter.purchasability=annotated

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