UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

18083657
18083657
18099657
18099657
18205723
18205723
4171774
4171774

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Popular Name: (3R,3aS,6aR)-5-isopropyl-2-phenyl-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3R,3aS,6aR)-5-isopropyl-2-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) 2.90 8.6 -10.03 0 5 0 50 342.42 3 ↓
Ref Reference (pH 7) 2.90 8.47 -7.87 0 5 0 50 342.42 3 ↓

Analogs

18043609
18043609

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Popular Name: 3-methyl-7-(o-tolyl)-8-(2-thienyl)-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione 3-methyl-7-(o-tolyl)-8-(2-thieny…

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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) 2.63 8.16 -7.57 0 5 0 50 328.393 2 ↓

Analogs

4171780
4171780
4393313
4393313
12017421
12017421
18083657
18083657
18099657
18099657

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Popular Name: 7-butyl-3-phenyl-2-(2-thienyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione 7-butyl-3-phenyl-2-(2-thienyl)-4…

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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) 3.67 9.38 -7.23 0 5 0 50 356.447 5 ↓
Ref Reference (pH 7) 3.67 9.59 -7.64 0 5 0 50 356.447 5 ↓

Analogs

4171780
4171780
4393313
4393313
12017421
12017421
18083657
18083657

Draw Identity 99% 90% 80% 70%

Popular Name: 7-isopropyl-3-phenyl-2-(2-thienyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione 7-isopropyl-3-phenyl-2-(2-thieny…

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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 8.4 -7.29 0 5 0 50 342.42 3 ↓
Ref Reference (pH 7) 2.90 8.6 -7.67 0 5 0 50 342.42 3 ↓

Analogs

4393313
4393313
12017421
12017421
18083657
18083657
18099657
18099657
18205723
18205723

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-3-phenyl-2-(2-thienyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione 7-methyl-3-phenyl-2-(2-thienyl)-…

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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) 2.23 6.84 -7.73 0 5 0 50 314.366 2 ↓
Ref Reference (pH 7) 2.23 7.06 -8.21 0 5 0 50 314.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-phenyl-8-(2-thienyl)-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione 7-phenyl-8-(2-thienyl)-6-oxa-3,7…

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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) 1.99 -2.56 -8.31 1 5 0 58 300.339 2 ↓
Ref Reference (pH 7) 2.17 2.27 -44.23 0 5 -1 65 299.331 2 ↓

Analogs

17748293
17748293

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Popular Name: 3-(4-chlorophenyl)-7-methyl-2-(2-thienyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione 3-(4-chlorophenyl)-7-methyl-2-(2…

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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) 2.91 7.37 -7.39 0 5 0 50 348.811 2 ↓
Ref Reference (pH 7) 2.91 7.58 -7.58 0 5 0 50 348.811 2 ↓

Parameters Provided:

ring.id = 75034
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 = 75034 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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