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

Analogs

15962779
15962779
15962781
15962781

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Popular Name: (4-propoxyphenyl)BLAHdione (4-propoxyphenyl)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) 2.77 8.89 -6.58 0 4 0 47 311.381 4 ↓

Analogs

16156208
16156208
16156209
16156209

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Popular Name: (3-iodophenyl)BLAHquinone (3-iodophenyl)BLAHquinone

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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 9.12 -9.12 0 3 0 37 379.197 1 ↓

Analogs

12285278
12285278

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Popular Name: (2-methoxyphenyl)BLAHdione (2-methoxyphenyl)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) 1.85 7.5 -12.68 0 4 0 47 283.327 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)methylBLAHdione (4-chlorophenyl)methylBLAHdione

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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) 2.22 9.11 -6.63 0 3 0 37 301.773 2 ↓

Analogs

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Popular Name: (4-bromophenyl)methylBLAHdione (4-bromophenyl)methylBLAHdione

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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) 2.35 9.21 -6.58 0 3 0 37 346.224 2 ↓

Analogs

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Popular Name: (4-iodophenyl)methylBLAHdione (4-iodophenyl)methylBLAHdione

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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) 2.62 9.69 -6.47 0 3 0 37 393.224 2 ↓

Analogs

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Popular Name: (4-nitrophenyl)methylBLAHdione (4-nitrophenyl)methylBLAHdione

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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) 1.50 9.3 -9.31 0 6 0 83 312.325 3 ↓

Analogs

4179500
4179500

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Popular Name: [(4-benzyloxy-3-methoxy-phenyl)methyleneamino]BLAHdione [(4-benzyloxy-3-methoxy-phenyl)m…

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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) 2.82 10.96 -11.82 0 6 0 68 416.477 6 ↓

Analogs

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Popular Name: 1,3-benzothiazol-2-ylBLAHdione 1,3-benzothiazol-2-ylBLAHdione

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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) 2.40 8.68 -15.02 0 4 0 50 310.378 1 ↓

Analogs

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Popular Name: 1,3-benzothiazol-2-ylBLAHdione 1,3-benzothiazol-2-ylBLAHdione

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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) 2.40 8.78 -12.79 0 4 0 50 310.378 1 ↓

Analogs

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Popular Name: 1,3-benzothiazol-2-ylBLAHdione 1,3-benzothiazol-2-ylBLAHdione

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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) 2.40 8.71 -12.76 0 4 0 50 310.378 1 ↓

Analogs

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Popular Name: 1,3-benzothiazol-2-ylBLAHdione 1,3-benzothiazol-2-ylBLAHdione

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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) 2.40 8.87 -16.15 0 4 0 50 310.378 1 ↓

Analogs

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Popular Name: N-[3-chloro-4-(dioxoBLAHyl)phenyl]pyridine-2-carboxamide N-[3-chloro-4-(dioxoBLAHyl)pheny…

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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) 2.17 8.72 -16.11 1 6 0 79 407.857 3 ↓

Analogs

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Popular Name: N-[3-chloro-4-(dioxoBLAHyl)phenyl]pyridine-2-carboxamide N-[3-chloro-4-(dioxoBLAHyl)pheny…

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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) 2.17 9.1 -15.23 1 6 0 79 407.857 3 ↓

Analogs

26161783
26161783

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Popular Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)butylBLAHdione 4-(4-pyrimidin-2-ylpiperazin-1-y…

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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) 1.02 12.61 -42.67 1 7 1 71 396.515 6 ↓
Mid Mid (pH 6-8) 1.02 10.39 -12.14 0 7 0 70 395.507 6 ↓

Parameters Provided:

ring.id = 198884
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 = 198884 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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