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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15936696
15936696
61959801
61959801

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Popular Name: (4-fluorophenyl)-methyl-phenyl-BLAHdione (4-fluorophenyl)-methyl-phenyl-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) 5.47 11.88 -8.89 0 5 0 50 428.463 2 ↓

Analogs

15936694
15936694

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Popular Name: methyl-phenyl-(p-tolyl)BLAHdione methyl-phenyl-(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) 5.75 12.39 -13.98 0 5 0 50 424.5 2 ↓

Analogs

15936693
15936693
61959542
61959542

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Popular Name: methyl-phenyl-[4-(trifluoromethyl)phenyl]BLAHdione methyl-phenyl-[4-(trifluoromethy…

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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) 6.20 12.81 -8.73 0 5 0 50 478.47 3 ↓

Analogs

61959524
61959524
61959817
61959817

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Popular Name: (3-chlorophenyl)-methyl-phenyl-BLAHdione (3-chlorophenyl)-methyl-phenyl-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) 5.96 12.21 -13.9 0 5 0 50 444.918 2 ↓

Analogs

61959542
61959542
15935733
15935733

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Popular Name: methyl-phenyl-[4-(trifluoromethyl)phenyl]BLAHdione methyl-phenyl-[4-(trifluoromethy…

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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) 6.20 13 -8.17 0 5 0 50 478.47 3 ↓

Analogs

61959637
61959637
61959784
61959784
61959815
61959815
61959821
61959821
15935731
15935731

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Popular Name: methyl-diphenyl-BLAHdione methyl-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) 5.30 12 -10.22 0 5 0 50 410.473 2 ↓

Analogs

61959801
61959801
15935632
15935632

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-methyl-phenyl-BLAHdione (4-fluorophenyl)-methyl-phenyl-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) 5.47 12.07 -8.36 0 5 0 50 428.463 2 ↓

Analogs

61959597
61959597
61959676
61959676

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Popular Name: (3-fluorophenyl)-methyl-phenyl-BLAHdione (3-fluorophenyl)-methyl-phenyl-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) 5.44 12.07 -10.45 0 5 0 50 428.463 2 ↓

Analogs

15936700
15936700
61959513
61959513

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Popular Name: methyl-(m-tolyl)-phenyl-BLAHdione methyl-(m-tolyl)-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) 5.73 12.48 -10.57 0 5 0 50 424.5 2 ↓

Analogs

61959513
61959513
15936698
15936698

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Popular Name: methyl-(m-tolyl)-phenyl-BLAHdione methyl-(m-tolyl)-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) 5.73 12.66 -10.49 0 5 0 50 424.5 2 ↓

Analogs

61959509
61959509
61959820
61959820

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Popular Name: (4-bromophenyl)-methyl-phenyl-BLAHdione (4-bromophenyl)-methyl-phenyl-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) 6.11 12.62 -8.09 0 5 0 50 489.369 2 ↓

Analogs

61959584
61959584
12477593
12477593

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Popular Name: (4-chlorophenyl)-methyl-phenyl-BLAHdione (4-chlorophenyl)-methyl-phenyl-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) 5.98 12.22 -12.11 0 5 0 50 444.918 2 ↓

Parameters Provided:

ring.id = 254189
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 = 254189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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