UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11990647
11990647
727945
727945

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Popular Name: benzyl-dioxo-BLAHcarboxylic benzyl-dioxo-BLAHcarboxylic

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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) 3.12 0.72 -52.29 0 6 -1 88 424.479 3 ↓

Analogs

727945
727945

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Popular Name: benzyl-dioxo-BLAHcarboxylic benzyl-dioxo-BLAHcarboxylic

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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) 3.12 0.56 -49.94 0 6 -1 88 424.479 3 ↓

Analogs

11990662
11990662
944570
944570
8735701
8735701

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Popular Name: bromo-(4-fluorophenyl)BLAHdione bromo-(4-fluorophenyl)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) 4.76 -0.74 -8.04 1 4 0 59 464.337 1 ↓

Analogs

11990661
11990661
944570
944570

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Popular Name: bromo-(4-fluorophenyl)BLAHdione bromo-(4-fluorophenyl)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) 4.76 -0.54 -9.22 1 4 0 59 464.337 1 ↓

Analogs

11990719
11990719
11990720
11990720
11990721
11990721
3637796
3637796

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Popular Name: dibromo-dioxo-BLAHcarboxylic dibromo-dioxo-BLAHcarboxylic

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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) 2.98 -2.79 -41.62 1 6 -1 99 492.146 1 ↓

Analogs

11990720
11990720
11990721
11990721
3637796
3637796

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Popular Name: dibromo-dioxo-BLAHcarboxylic dibromo-dioxo-BLAHcarboxylic

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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) 2.98 -2.99 -46.21 1 6 -1 99 492.146 1 ↓

Analogs

11990721
11990721
3637796
3637796

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Popular Name: dibromo-dioxo-BLAHcarboxylic dibromo-dioxo-BLAHcarboxylic

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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) 2.98 -2.94 -46.74 1 6 -1 99 492.146 1 ↓

Analogs

3637796
3637796

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Popular Name: dibromo-dioxo-BLAHcarboxylic dibromo-dioxo-BLAHcarboxylic

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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) 2.98 -3.16 -45.16 1 6 -1 99 492.146 1 ↓

Analogs

11990729
11990729
19910978
19910978
19910981
19910981
35241369
35241369
35241371
35241371

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Popular Name: hydroxy-dioxo-BLAHcarboxylic hydroxy-dioxo-BLAHcarboxylic

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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) 0.96 -3.28 -46.04 2 7 -1 120 350.353 1 ↓

Analogs

19910978
19910978
19910981
19910981
35241369
35241369
35241371
35241371
11990728
11990728

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Popular Name: hydroxy-dioxo-BLAHcarboxylic hydroxy-dioxo-BLAHcarboxylic

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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) 0.96 -3.41 -51.04 2 7 -1 120 350.353 1 ↓

Analogs

11990850
11990850
11990851
11990851
19727510
19727510
19727512
19727512
19727514
19727514

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Popular Name: dioxoBLAHcarboxylic dioxoBLAHcarboxylic

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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) 1.46 -1.31 -47.58 1 6 -1 99 334.354 1 ↓

Analogs

11990851
11990851
19727510
19727510
19727512
19727512
19727514
19727514
2140419
2140419

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Popular Name: dioxoBLAHcarboxylic dioxoBLAHcarboxylic

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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) 1.46 -1.49 -51.27 1 6 -1 99 334.354 1 ↓

Analogs

2145440
2145440

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Popular Name: dioxoBLAHcarboxylic dioxoBLAHcarboxylic

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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) 1.46 -1.45 -50.52 1 6 -1 99 334.354 1 ↓

Parameters Provided:

ring.id = 66061
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 = 66061 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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