UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: dimethoxy(p-tolyl)BLAHdione dimethoxy(p-tolyl)BLAHdione

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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) 3.98 9.84 -21.1 0 8 0 87 452.47 3 ↓

Analogs

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Popular Name: dimethoxy(p-tolyl)BLAHdione dimethoxy(p-tolyl)BLAHdione

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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) 3.98 9.83 -20.52 0 8 0 87 452.47 3 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-dimethoxy-BLAHdione (3,4-dimethylphenyl)-dimethoxy-B…

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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) 4.35 10.39 -21.44 0 8 0 87 466.497 3 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-dimethoxy-BLAHdione (3,4-dimethylphenyl)-dimethoxy-B…

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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) 4.35 10.37 -20.81 0 8 0 87 466.497 3 ↓

Analogs

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Popular Name: dimethoxy(phenyl)BLAHdione dimethoxy(phenyl)BLAHdione

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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) 3.53 9.19 -21.1 0 8 0 87 438.443 3 ↓

Analogs

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Popular Name: dimethoxy(phenyl)BLAHdione dimethoxy(phenyl)BLAHdione

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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) 3.53 9.19 -20.56 0 8 0 87 438.443 3 ↓

Analogs

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Popular Name: (4-fluorophenyl)-dimethoxy-BLAHdione (4-fluorophenyl)-dimethoxy-BLAHd…

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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) 3.69 9.25 -20.21 0 8 0 87 456.433 3 ↓

Analogs

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Popular Name: (4-fluorophenyl)-dimethoxy-BLAHdione (4-fluorophenyl)-dimethoxy-BLAHd…

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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) 3.69 9.26 -19.68 0 8 0 87 456.433 3 ↓

Analogs

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Popular Name: (4-ethylphenyl)-dimethoxy-BLAHdione (4-ethylphenyl)-dimethoxy-BLAHdione

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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) 4.44 10.59 -20.87 0 8 0 87 466.497 4 ↓

Analogs

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Popular Name: (4-ethylphenyl)-dimethoxy-BLAHdione (4-ethylphenyl)-dimethoxy-BLAHdione

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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) 4.44 10.59 -20.26 0 8 0 87 466.497 4 ↓

Analogs

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Popular Name: (4-isopropylphenyl)-dimethoxy-BLAHdione (4-isopropylphenyl)-dimethoxy-BL…

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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) 5.04 11.07 -20.68 0 8 0 87 480.524 4 ↓

Analogs

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Popular Name: (4-isopropylphenyl)-dimethoxy-BLAHdione (4-isopropylphenyl)-dimethoxy-BL…

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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) 5.04 11.06 -20.1 0 8 0 87 480.524 4 ↓

Parameters Provided:

ring.id = 405761
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 = 405761 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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