UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8274037
8274037

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Popular Name: N-[(3-chlorophenyl)methyl]-N-methyl-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbox N-[(3-chlorophenyl)methyl]-N-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) 3.75 11.7 -15.11 0 5 0 55 409.917 3 ↓

Analogs

16110073
16110073
21710861
21710861
21768779
21768779
24867606
24867606
45864359
45864359

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Popular Name: N-benzyl-N-methyl-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide N-benzyl-N-methyl-13-oxo-6,7,8,9…

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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) 3.09 11.18 -13.46 0 5 0 55 375.472 3 ↓

Analogs

7807810
7807810

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Popular Name: N-[(4-fluorophenyl)methyl]-N-methyl-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbox N-[(4-fluorophenyl)methyl]-N-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) 3.25 11.02 -14.18 0 5 0 55 393.462 3 ↓

Analogs

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Popular Name: 13-oxo-N-[(1R)-3,3,3-trifluoro-1-phenyl-propyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-c 13-oxo-N-[(1R)-3,3,3-trifluoro-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) 3.80 11.03 -15.45 1 5 0 64 443.469 5 ↓

Analogs

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Popular Name: 13-oxo-N-[(1S)-3,3,3-trifluoro-1-phenyl-propyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-c 13-oxo-N-[(1S)-3,3,3-trifluoro-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) 3.80 11.02 -15.44 1 5 0 64 443.469 5 ↓

Parameters Provided:

ring.id = 111569
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 = 111569 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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