UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21990903
21990903
21990906
21990906
397539
397539

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Popular Name: 2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]benzoic 2-[(1R)-3-oxo-1H-isobenzofuran-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) 2.66 7.91 -48.4 0 4 -1 66 253.233 2 ↓

Analogs

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Popular Name: 4-[(1S)-4,6-dihydroxy-3-oxo-1H-isobenzofuran-1-yl]-3,5-dihydroxy-benzoic 4-[(1S)-4,6-dihydroxy-3-oxo-1H-i…

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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 -2.17 -53.97 4 8 -1 147 317.229 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-4,6-dihydroxy-3-oxo-1H-isobenzofuran-1-yl]-3,5-dihydroxy-benzoic 4-[(1R)-4,6-dihydroxy-3-oxo-1H-i…

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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 -2.23 -59.54 4 8 -1 147 317.229 2 ↓

Analogs

2787561
2787561

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Popular Name: (3R)-3-(5-acetyl-2,4-dihydroxy-phenyl)phthalide (3R)-3-(5-acetyl-2,4-dihydroxy-p…

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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 -0.51 -13.66 2 5 0 83 284.267 2 ↓

Analogs

2787560
2787560

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Popular Name: (3S)-3-(5-acetyl-2,4-dihydroxy-phenyl)phthalide (3S)-3-(5-acetyl-2,4-dihydroxy-p…

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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 -0.51 -14.75 2 5 0 83 284.267 2 ↓

Parameters Provided:

ring.id = 53244
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 = 53244 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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