UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

58399564
58399564
3847316
3847316

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Popular Name: 7-Methoxy-2,3-dihydroisoquinolin-4(1H)-one hydrochloride 7-Methoxy-2,3-dihydroisoquinolin…

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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) 0.87 1.66 -7.68 1 3 0 38 177.203 1 ↓
Mid Mid (pH 6-8) 0.87 3.02 -50.76 2 3 1 43 178.211 1 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.33 7.53 -7.4 0 4 0 47 295.338 4 ↓

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Popular Name: methyl methyl

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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) 2.33 7.53 -7.39 0 4 0 47 295.338 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-hydroxy-3-phenoxy-propyl]-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one 2-[(2S)-2-hydroxy-3-phenoxy-prop…

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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) 2.55 5.08 -14.67 1 6 0 68 385.46 7 ↓

Analogs

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Popular Name: 2-[(2R)-2-hydroxy-3-phenoxy-propyl]-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one 2-[(2R)-2-hydroxy-3-phenoxy-prop…

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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) 2.55 4.68 -14.62 1 6 0 68 385.46 7 ↓

Parameters Provided:

ring.id = 66886
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 = 66886 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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