UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12684929
12684929

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Popular Name: N-(4-methylsulfonylphenyl)-2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-a N-(4-methylsulfonylphenyl)-2-(5-…

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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) 2.21 -3.78 -30.24 1 7 0 98 439.518 5 ↓

Analogs

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Popular Name: N-(4-bromo-2-chloro-phenyl)-2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)- N-(4-bromo-2-chloro-phenyl)-2-(5…

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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) 4.75 -0.89 -17.68 1 5 0 64 474.767 4 ↓

Analogs

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Popular Name: 2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-N-(4-propylphenyl)-acetamide 2-(5-oxo-7-phenyl-9-thia-2,4-dia…

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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) 4.64 0.46 -21.47 1 5 0 64 403.507 6 ↓

Analogs

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Popular Name: N-[5-(dimethylsulfamoyl)-2,3-dimethyl-phenyl]-2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2 N-[5-(dimethylsulfamoyl)-2,3-dim…

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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) 3.41 -3.19 -26.86 1 8 0 101 496.614 6 ↓

Analogs

24763382
24763382

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Popular Name: ethyl ethyl

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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) 4.30 1.26 -24.72 1 7 0 90 459.527 8 ↓

Analogs

24763387
24763387

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Popular Name: N-methyl-N-(4-nitrophenyl)-2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-a N-methyl-N-(4-nitrophenyl)-2-(5-…

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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) 3.54 1.96 -25.28 0 8 0 101 420.45 5 ↓

Analogs

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Popular Name: N-ethyl-N-(o-tolyl)-2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-acetamid N-ethyl-N-(o-tolyl)-2-(5-oxo-7-p…

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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) 4.36 2.52 -20.42 0 5 0 55 403.507 5 ↓

Analogs

1290691
1290691
1942828
1942828
1961456
1961456
6147463
6147463

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Popular Name: BRD-K62766487-001-01-6 BRD-K62766487-001-01-6

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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) 4.78 1.12 -20.55 1 5 0 63 441.915 4 ↓

Analogs

1942428
1942428
1945225
1945225
9040943
9040943
1290687
1290687

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Popular Name: BRD-K83869691-001-01-5 BRD-K83869691-001-01-5

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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) 4.22 0.19 -22.71 1 6 0 73 419.506 6 ↓

Parameters Provided:

ring.id = 28076
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 = 28076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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