UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8741697
8741697

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Popular Name: (3R,3aS,6aR)-5-(4-methoxyphenyl)-2-(o-tolyl)-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole- (3R,3aS,6aR)-5-(4-methoxyphenyl)…

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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) 4.39 10.85 -9.24 0 6 0 59 420.49 4 ↓

Analogs

8741699
8741699

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Popular Name: (3R,3aS,6aR)-5-(3-methoxyphenyl)-2-(o-tolyl)-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole- (3R,3aS,6aR)-5-(3-methoxyphenyl)…

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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 10.86 -11.26 0 6 0 59 420.49 4 ↓

Analogs

4171814
4171814

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Popular Name: (3R,3aR,6aS)-5-(3-methoxyphenyl)-2-phenyl-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6 (3R,3aR,6aS)-5-(3-methoxyphenyl)…

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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) 3.96 9.6 -10.8 0 6 0 59 406.463 4 ↓

Analogs

17886764
17886764

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Popular Name: (3R,3aS,6aR)-5-(m-tolyl)-2-phenyl-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3R,3aS,6aR)-5-(m-tolyl)-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) 4.35 10.97 -8.76 0 5 0 50 390.464 3 ↓
Ref Reference (pH 7) 4.35 11.23 -13.3 0 5 0 50 390.464 3 ↓

Analogs

18043686
18043686
4110921
4110921
9462192
9462192

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Popular Name: (3R,3aS,6aS)-5-(3-chlorophenyl)-2-phenyl-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6- (3R,3aS,6aS)-5-(3-chlorophenyl)-…

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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) 4.58 11.04 -9.17 0 5 0 50 410.882 3 ↓

Analogs

18060210
18060210

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Popular Name: (3R,3aS,6aR)-2-phenyl-5-(p-tolyl)-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3R,3aS,6aR)-2-phenyl-5-(p-tolyl…

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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) 4.38 10.98 -8.49 0 5 0 50 390.464 3 ↓
Ref Reference (pH 7) 4.38 11.25 -13.09 0 5 0 50 390.464 3 ↓

Analogs

4110927
4110927
4158800
4158800

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Popular Name: (3R,3aS,6aS)-5-(4-chlorophenyl)-2-phenyl-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6- (3R,3aS,6aS)-5-(4-chlorophenyl)-…

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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) 4.61 11.06 -7.73 0 5 0 50 410.882 3 ↓

Analogs

6252321
6252321
6252318
6252318
4163302
4163302

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Popular Name: (3R,3aS,6aS)-2,5-diphenyl-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3R,3aS,6aS)-2,5-diphenyl-3-(2-t…

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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) 3.93 10.53 -9.04 0 5 0 50 376.437 3 ↓

Analogs

4163353
4163353

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Popular Name: (3R,3aR,6aR)-2-(4-chlorophenyl)-5-(4-nitrophenyl)-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxa (3R,3aR,6aR)-2-(4-chlorophenyl)-…

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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) 4.57 11.85 -8.32 0 8 0 96 455.879 4 ↓
Ref Reference (pH 7) 4.57 11.76 -14.31 0 8 0 96 455.879 4 ↓

Analogs

4110942
4110942

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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) 5.15 12.41 -9.91 0 7 0 76 482.945 6 ↓
Ref Reference (pH 7) 5.15 12.68 -15.06 0 7 0 76 482.945 6 ↓

Analogs

4163279
4163279

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Popular Name: (3R,3aR,6aS)-5-(3-nitrophenyl)-2-(o-tolyl)-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4, (3R,3aR,6aS)-5-(3-nitrophenyl)-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) 4.26 11.31 -13.58 0 8 0 96 435.461 4 ↓

Analogs

8741693
8741693

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Popular Name: (3R,3aR,6aS)-5-(3-chlorophenyl)-2-(o-tolyl)-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4 (3R,3aR,6aS)-5-(3-chlorophenyl)-…

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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) 4.98 11.14 -8.45 0 5 0 50 424.909 3 ↓

Analogs

4070855
4070855

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Popular Name: (3R,3aS,6aR)-2-(o-tolyl)-5-(p-tolyl)-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dion (3R,3aS,6aR)-2-(o-tolyl)-5-(p-to…

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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 11.9 -8.84 0 5 0 50 404.491 3 ↓
Ref Reference (pH 7) 4.78 12.17 -12.72 0 5 0 50 404.491 3 ↓

Analogs

8741695
8741695

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Popular Name: (3R,3aR,6aS)-5-(4-chlorophenyl)-2-(o-tolyl)-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4 (3R,3aR,6aS)-5-(4-chlorophenyl)-…

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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) 5.01 11.05 -7.06 0 5 0 50 424.909 3 ↓

Analogs

6142172
6142172
11024094
11024094
18080692
18080692

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Popular Name: 7-(4-methoxyphenyl)-3-phenyl-2-(2-thienyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione 7-(4-methoxyphenyl)-3-phenyl-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) 3.99 9.59 -8.94 0 6 0 59 406.463 4 ↓

Analogs

17996003
17996003

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Popular Name: 7-(3-methoxyphenyl)-3-phenyl-2-(2-thienyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione 7-(3-methoxyphenyl)-3-phenyl-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) 3.96 9.78 -12.43 0 6 0 59 406.463 4 ↓

Parameters Provided:

ring.id = 42267
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 = 42267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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