UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-(hydroxymethyl)phenyl]-1,3-dihydroisobenzofuran-5-carboxamide N-[3-(hydroxymethyl)phenyl]-1,3-…

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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) 1.86 3.13 -13.83 2 4 0 59 269.3 3 ↓

Analogs

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Popular Name: N-(5-bromo-2-chloro-phenyl)-1,3-dihydroisobenzofuran-5-carboxamide N-(5-bromo-2-chloro-phenyl)-1,3-…

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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) 3.96 7.07 -8.28 1 3 0 38 352.615 2 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methoxy-phenyl)-N-isopropyl-1,3-dihydroisobenzofuran-5-carboxamide N-(3-fluoro-4-methoxy-phenyl)-N-…

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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) 3.61 7.27 -16.24 0 4 0 39 329.371 4 ↓

Analogs

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Popular Name: N-(3-fluoro-4-hydroxy-phenyl)-1,3-dihydroisobenzofuran-5-carboxamide N-(3-fluoro-4-hydroxy-phenyl)-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) 2.41 3.03 -14.35 2 4 0 59 273.263 2 ↓
Hi High (pH 8-9.5) 2.41 3.79 -53.98 1 4 -1 61 272.255 2 ↓

Analogs

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Popular Name: N-[4-(hydroxymethyl)phenyl]-1,3-dihydroisobenzofuran-5-carboxamide N-[4-(hydroxymethyl)phenyl]-1,3-…

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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) 1.88 3.12 -12.37 2 4 0 59 269.3 3 ↓

Analogs

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Popular Name: N-(3-hydroxy-2-methyl-phenyl)-1,3-dihydroisobenzofuran-5-carboxamide N-(3-hydroxy-2-methyl-phenyl)-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) 2.88 3.89 -10.69 2 4 0 59 269.3 2 ↓

Analogs

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Popular Name: N-(3-hydroxy-4-methyl-phenyl)-1,3-dihydroisobenzofuran-5-carboxamide N-(3-hydroxy-4-methyl-phenyl)-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) 2.91 3.71 -13.37 2 4 0 59 269.3 2 ↓

Analogs

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Popular Name: N-(2-fluoro-4-hydroxy-phenyl)-1,3-dihydroisobenzofuran-5-carboxamide N-(2-fluoro-4-hydroxy-phenyl)-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) 2.15 3.07 -9.57 2 4 0 59 273.263 2 ↓

Analogs

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Popular Name: N-(4-chloro-3-hydroxy-phenyl)-1,3-dihydroisobenzofuran-5-carboxamide N-(4-chloro-3-hydroxy-phenyl)-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) 2.93 3.52 -12.09 2 4 0 59 289.718 2 ↓
Hi High (pH 8-9.5) 2.93 4.28 -55.26 1 4 -1 61 288.71 2 ↓

Analogs

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Popular Name: N-(2-chloro-4-hydroxy-phenyl)-1,3-dihydroisobenzofuran-5-carboxamide N-(2-chloro-4-hydroxy-phenyl)-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) 2.67 3.59 -9.18 2 4 0 59 289.718 2 ↓

Parameters Provided:

ring.id = 18976
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 = 18976 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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