UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15974991
15974991

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Popular Name: (3,5-dichlorophenyl)-dioxo-BLAHcarboxamide (3,5-dichlorophenyl)-dioxo-BLAHc…

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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) 3.34 7.06 -10.14 2 6 0 84 428.275 2 ↓

Analogs

34687443
34687443
16000728
16000728

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Popular Name: acetyl-(5-chloro-2-methyl-phenyl)BLAHdione acetyl-(5-chloro-2-methyl-phenyl…

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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) 3.36 12.18 -19.49 0 5 0 58 406.869 2 ↓
Lo Low (pH 4.5-6) 3.36 12.98 -42.59 1 5 0 59 407.877 2 ↓

Analogs

15989350
15989350

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Popular Name: dioxo-phenyl-BLAHcarbonitrile dioxo-phenyl-BLAHcarbonitrile

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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) 2.55 9.66 -21.39 0 5 0 64 341.37 1 ↓

Analogs

15989594
15989594

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Popular Name: dioxo-[3-(trifluoromethyl)phenyl]BLAHcarbonitrile dioxo-[3-(trifluoromethyl)phenyl…

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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) 3.42 10.66 -22.99 0 5 0 64 409.367 2 ↓

Analogs

15989753
15989753

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Popular Name: (4-chlorophenyl)-dioxo-BLAHcarbonitrile (4-chlorophenyl)-dioxo-BLAHcarbo…

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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) 3.23 10.14 -20.31 0 5 0 64 375.815 1 ↓

Analogs

15989883
15989883
15989889
15989889

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Popular Name: (4-fluorophenyl)-dioxo-BLAHcarbonitrile (4-fluorophenyl)-dioxo-BLAHcarbo…

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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) 2.71 9.75 -20.34 0 5 0 64 359.36 1 ↓

Analogs

35828496
35828496
15974854
15974854

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Popular Name: methyl 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) 2.61 11.29 -14.72 0 7 0 84 416.433 4 ↓

Analogs

34380148
34380148
16038836
16038836

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Popular Name: acetyl-(2-methoxyphenyl)BLAHdione acetyl-(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) 2.32 9.58 -13 0 6 0 67 388.423 3 ↓

Parameters Provided:

ring.id = 8022
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 = 8022 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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