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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6660795
6660795

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Popular Name: dimethyl-(o-tolylmethyl)BLAHdione dimethyl-(o-tolylmethyl)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) 2.68 0.78 -12.26 0 7 0 74 324.34 2 ↓
Mid Mid (pH 6-8) 2.68 1.69 -35.82 1 7 1 75 325.348 2 ↓

Analogs

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Popular Name: dimethyl-(m-tolylmethyl)BLAHdione dimethyl-(m-tolylmethyl)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) 2.70 0.3 -10.78 0 7 0 74 324.34 2 ↓
Mid Mid (pH 6-8) 2.70 1.21 -33.84 1 7 1 75 325.348 2 ↓

Analogs

6660795
6660795

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Popular Name: dimethyl-(p-tolylmethyl)BLAHdione dimethyl-(p-tolylmethyl)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) 2.73 0.3 -10.7 0 7 0 74 324.34 2 ↓
Mid Mid (pH 6-8) 2.73 1.21 -33.89 1 7 1 75 325.348 2 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl-dimethyl-BLAHdione (2,5-dimethylphenyl)methyl-dimet…

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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) 3.10 1.13 -12.49 0 7 0 74 338.367 2 ↓
Mid Mid (pH 6-8) 3.10 2.01 -35.89 1 7 1 75 339.375 2 ↓

Analogs

9708616
9708616

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Popular Name: (2-chlorophenyl)methyl-dimethyl-BLAHdione (2-chlorophenyl)methyl-dimethyl-…

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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 -0.19 -10.73 0 7 0 74 344.758 2 ↓
Mid Mid (pH 6-8) 2.91 0.72 -33.45 1 7 1 75 345.766 2 ↓

Analogs

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Popular Name: (3-chlorophenyl)methyl-dimethyl-BLAHdione (3-chlorophenyl)methyl-dimethyl-…

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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 -0.17 -10.37 0 7 0 74 344.758 2 ↓
Mid Mid (pH 6-8) 2.93 0.74 -34.46 1 7 1 75 345.766 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)methyl-dimethyl-BLAHdione (4-chlorophenyl)methyl-dimethyl-…

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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) 2.96 -0.17 -9.83 0 7 0 74 344.758 2 ↓
Mid Mid (pH 6-8) 2.96 0.74 -34.39 1 7 1 75 345.766 2 ↓

Analogs

8706206
8706206
9708613
9708613

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Popular Name: (2,6-dichlorophenyl)methyl-dimethyl-BLAHdione (2,6-dichlorophenyl)methyl-dimet…

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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) 3.54 -0.25 -10.65 0 7 0 74 379.203 2 ↓
Mid Mid (pH 6-8) 3.54 0.66 -32.67 1 7 1 75 380.211 2 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)methyl-dimethyl-BLAHdione (2-chloro-6-fluoro-phenyl)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) 3.03 0.47 -12.16 0 7 0 74 362.748 2 ↓
Mid Mid (pH 6-8) 3.03 1.37 -34.09 1 7 1 75 363.756 2 ↓

Analogs

6660510
6660510

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Popular Name: trimethyl-(o-tolylmethyl)BLAHdione trimethyl-(o-tolylmethyl)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) 2.90 0.84 -12.55 0 7 0 74 338.367 2 ↓
Mid Mid (pH 6-8) 2.90 1.71 -34.57 1 7 1 75 339.375 2 ↓

Analogs

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Popular Name: trimethyl-(m-tolylmethyl)BLAHdione trimethyl-(m-tolylmethyl)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) 2.93 0.35 -11.05 0 7 0 74 338.367 2 ↓
Mid Mid (pH 6-8) 2.93 1.26 -32.96 1 7 1 75 339.375 2 ↓

Analogs

6660510
6660510

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Popular Name: trimethyl-(p-tolylmethyl)BLAHdione trimethyl-(p-tolylmethyl)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) 2.95 0.35 -10.93 0 7 0 74 338.367 2 ↓
Mid Mid (pH 6-8) 2.95 1.22 -32.63 1 7 1 75 339.375 2 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl-trimethyl-BLAHdione (2,5-dimethylphenyl)methyl-trime…

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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) 3.33 1.15 -12.77 0 7 0 74 352.394 2 ↓
Mid Mid (pH 6-8) 3.33 2.06 -35.04 1 7 1 75 353.402 2 ↓

Analogs

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Popular Name: (4-bromophenyl)methyl-trimethyl-BLAHdione (4-bromophenyl)methyl-trimethyl-…

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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) 3.31 -0.73 -9.98 0 7 0 74 403.236 2 ↓
Mid Mid (pH 6-8) 3.31 0.14 -33.15 1 7 1 75 404.244 2 ↓

Parameters Provided:

ring.id = 8193
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 = 8193 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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