UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine 4-chloro-6-(1,3,4,5-tetrahydro-2…

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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) 2.58 7.49 -6.03 2 4 0 55 274.755 1 ↓

Analogs

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Popular Name: 2-(2-chloropyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine 2-(2-chloropyrimidin-4-yl)-1,3,4…

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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) 3.15 8.74 -8.02 0 3 0 29 259.74 1 ↓

Analogs

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Popular Name: 2-(6-chloro-5-nitro-pyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine 2-(6-chloro-5-nitro-pyrimidin-4-…

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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) 3.05 10.1 -5.47 0 6 0 75 304.737 2 ↓

Analogs

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Popular Name: 2-(2-chloro-6-methyl-pyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine 2-(2-chloro-6-methyl-pyrimidin-4…

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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) 3.58 9.37 -7.72 0 3 0 29 273.767 1 ↓

Analogs

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Popular Name: 2-(6-chloro-2-methyl-pyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine 2-(6-chloro-2-methyl-pyrimidin-4…

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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 9.33 -6.15 0 3 0 29 273.767 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-chloropyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine 2-(6-chloropyrimidin-4-yl)-1,3,4…

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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) 3.17 9.37 -6.03 0 3 0 29 259.74 1 ↓

Parameters Provided:

ring.id = 314614
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 = 314614 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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