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ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: diallyl-dimethyl-diphenyl-BLAHdione diallyl-dimethyl-diphenyl-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) 8.13 14.29 -15.12 0 4 0 41 482.668 6 ↓

Analogs

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Popular Name: diallyl-dimethyl-diphenyl-BLAHdione diallyl-dimethyl-diphenyl-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) 8.13 14.51 -15.66 0 4 0 41 482.668 6 ↓

Analogs

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Popular Name: diallyl-dimethyl-diphenyl-BLAHdione diallyl-dimethyl-diphenyl-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) 8.13 15.39 -19.03 0 4 0 41 482.668 6 ↓

Analogs

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Popular Name: diallyl-dimethyl-diphenyl-BLAHdione diallyl-dimethyl-diphenyl-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) 8.13 15.79 -15.93 0 4 0 41 482.668 6 ↓

Analogs

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Popular Name: bis(3-methoxyphenyl)-dimethyl-BLAHdione bis(3-methoxyphenyl)-dimethyl-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) 8.48 10.92 -17.97 0 6 0 59 462.59 4 ↓

Analogs

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Popular Name: bis(3-methoxyphenyl)-dimethyl-BLAHdione bis(3-methoxyphenyl)-dimethyl-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) 8.48 10.93 -17.13 0 6 0 59 462.59 4 ↓

Analogs

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Popular Name: bis(3-methoxyphenyl)-dimethyl-BLAHdione bis(3-methoxyphenyl)-dimethyl-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) 8.48 11.71 -20.9 0 6 0 59 462.59 4 ↓

Analogs

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Popular Name: bis(3-methoxyphenyl)-dimethyl-BLAHdione bis(3-methoxyphenyl)-dimethyl-BL…

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Activity (Go SEA)

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) 8.48 11.94 -21.17 0 6 0 59 462.59 4 ↓

Analogs

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Popular Name: tetramethyl(diphenyl)BLAHdione tetramethyl(diphenyl)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) 7.06 12.2 -17.05 0 4 0 41 430.592 2 ↓

Analogs

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Popular Name: tetramethyl(diphenyl)BLAHdione tetramethyl(diphenyl)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) 7.06 12.39 -17.46 0 4 0 41 430.592 2 ↓

Analogs

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Popular Name: tetramethyl(diphenyl)BLAHdione tetramethyl(diphenyl)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) 7.06 13 -20.64 0 4 0 41 430.592 2 ↓

Analogs

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Popular Name: tetramethyl(diphenyl)BLAHdione tetramethyl(diphenyl)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) 7.06 13.53 -17.16 0 4 0 41 430.592 2 ↓

Analogs

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Popular Name: dibenzyl-dimethyl-diphenyl-BLAHdione dibenzyl-dimethyl-diphenyl-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) 9.07 18.98 -15.26 0 4 0 41 582.788 6 ↓

Analogs

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Popular Name: dibenzyl-dimethyl-diphenyl-BLAHdione dibenzyl-dimethyl-diphenyl-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) 9.07 19.22 -15.59 0 4 0 41 582.788 6 ↓

Analogs

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Popular Name: dibenzyl-dimethyl-diphenyl-BLAHdione dibenzyl-dimethyl-diphenyl-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) 9.07 20.06 -17.09 0 4 0 41 582.788 6 ↓

Analogs

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Popular Name: dibenzyl-dimethyl-diphenyl-BLAHdione dibenzyl-dimethyl-diphenyl-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) 9.07 20.81 -16.61 0 4 0 41 582.788 6 ↓

Parameters Provided:

ring.id = 471908
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 = 471908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=471908&filter.purchasability=annotated

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