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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33934899
33934899
15989120
15989120

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aS,8bS)-7'-chloro-2-(4-fluorophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine (3aR,4S,8aS,8bS)-7'-chloro-2-(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) 3.00 5.72 -7.75 1 6 0 70 425.847 1 ↓

Analogs

15998857
15998857
15998859
15998859

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aS,8bS)-5'-chloro-2-(2,5-dichlorophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrroli (3aR,4S,8aS,8bS)-5'-chloro-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) 4.15 7.1 -8.92 1 6 0 70 476.747 1 ↓

Analogs

35843338
35843338
16000998
16000998

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aS,8bS)-6'-chloro-2-(5-chloro-2-methoxy-phenyl)-7'-methyl-spiro[3a,6,7,8,8a,8b-hexahydropyr (3aR,4S,8aS,8bS)-6'-chloro-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) 3.90 6.28 -9.33 1 7 0 79 486.355 2 ↓

Analogs

35828574
35828574
15989125
15989125
15989129
15989129

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aS,8bS)-5'-chloro-2-(2-methoxy-5-nitro-phenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]p (3aR,4S,8aS,8bS)-5'-chloro-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) 2.81 6.18 -13.65 1 10 0 125 482.88 3 ↓
Mid Mid (pH 6-8) 2.81 8.63 -43.28 2 10 1 126 483.888 3 ↓

Analogs

35889441
35889441

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aS,8bS)-7'-chloro-2-(2-fluorophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine (3aR,4S,8aS,8bS)-7'-chloro-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) 2.96 6.13 -14.76 1 6 0 70 425.847 1 ↓
Ref Reference (pH 7) 2.96 5.57 -9.33 1 6 0 70 425.847 1 ↓
Mid Mid (pH 6-8) 2.96 7.98 -32.89 2 6 1 71 426.855 1 ↓

Analogs

35829934
35829934
15989534
15989534
15989539
15989539

Draw Identity 99% 90% 80% 70%

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) 3.17 6.9 -13.87 1 8 0 96 465.893 3 ↓
Mid Mid (pH 6-8) 3.17 9.33 -38.13 2 8 1 97 466.901 3 ↓

Analogs

36151839
36151839
15021671
15021671
15021674
15021674
35166577
35166577

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,8aR,8bS)-2-(1,3-benzodioxol-5-yl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3 (3aS,4S,8aR,8bS)-2-(1,3-benzodio…

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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) 2.10 4.45 -12.44 1 8 0 88 417.421 1 ↓
Ref Reference (pH 7) 2.10 3.92 -11.84 1 8 0 88 417.421 1 ↓
Lo Low (pH 4.5-6) 2.10 6.63 -48.17 2 8 1 89 418.429 1 ↓

Analogs

36151834
36151834

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,8aR,8bS)-2-(1,3-benzodioxol-5-yl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3 (3aS,4R,8aR,8bS)-2-(1,3-benzodio…

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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) 2.10 3.72 -20.26 1 8 0 88 417.421 1 ↓
Ref Reference (pH 7) 2.10 4.22 -11.41 1 8 0 88 417.421 1 ↓
Lo Low (pH 4.5-6) 2.10 6.38 -41.19 2 8 1 89 418.429 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,8aS,8bR)-2-(4-methoxyphenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine-4,3'-ind (3aR,4R,8aS,8bR)-2-(4-methoxyphe…

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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) 2.27 4.71 -9.85 1 7 0 79 403.438 2 ↓
Lo Low (pH 4.5-6) 2.27 6.95 -40.39 2 7 1 80 404.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,8aR,8bR)-2-(4-methoxyphenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine-4,3'-ind (3aR,4R,8aR,8bR)-2-(4-methoxyphe…

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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) 2.27 4.61 -11.55 1 7 0 79 403.438 2 ↓
Lo Low (pH 4.5-6) 2.27 6.8 -40.43 2 7 1 80 404.446 2 ↓

Analogs

15957724
15957724

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aR,4S,8aS,8bS)-5'-methyl-1,2',3-trioxo-spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine [4-[(3aR,4S,8aS,8bS)-5'-methyl-1…

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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) 2.19 7.08 -12.94 1 8 0 96 445.475 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aS,8bR)-2-(1-naphthyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indoline (3aR,4S,8aS,8bR)-2-(1-naphthyl)s…

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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) 3.37 7.97 -11.46 1 6 0 70 423.472 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aR,8bS)-2-(1-naphthyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indoline (3aR,4S,8aR,8bS)-2-(1-naphthyl)s…

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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) 3.37 9.56 -19.57 1 6 0 70 423.472 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aR,8bS)-2-phenylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indoline]-1,2' (3aR,4S,8aR,8bS)-2-phenylspiro[3…

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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 6.83 -17.05 1 6 0 70 373.412 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aS,8bR)-2-(4-acetylphenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indo (3aR,4S,8aS,8bR)-2-(4-acetylphen…

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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) 2.11 5.58 -13.16 1 7 0 87 415.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,8aR,8bS)-2-(4-acetylphenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indo (3aR,4S,8aR,8bS)-2-(4-acetylphen…

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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) 2.11 7.25 -18.24 1 7 0 87 415.449 2 ↓

Parameters Provided:

ring.id = 16397
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 = 16397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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