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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-6-methyl-1H-benzimidazole 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.60 7.4 -38.76 3 3 1 45 256.373 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-6-methyl-1H-benzimidazole 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.60 7.22 -35.13 3 3 1 45 256.373 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-6-methyl-1H-benzimidazole 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.60 7.16 -37.96 3 3 1 45 256.373 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-6-methyl-1H-benzimidazole 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.60 7.12 -37.34 3 3 1 45 256.373 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-methyl-benzimidazole 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.25 8.27 -39.99 2 3 1 34 256.373 1 ↓
Lo Low (pH 4.5-6) 3.25 8.69 -101.72 3 3 2 36 257.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-methyl-benzimidazole 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.25 7.9 -35.95 2 3 1 34 256.373 1 ↓
Lo Low (pH 4.5-6) 3.25 8.49 -100.39 3 3 2 36 257.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-methyl-benzimidazole 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.25 7.91 -39.15 2 3 1 34 256.373 1 ↓
Lo Low (pH 4.5-6) 3.25 8.51 -103.08 3 3 2 36 257.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-methyl-benzimidazole 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.25 7.8 -38.32 2 3 1 34 256.373 1 ↓
Lo Low (pH 4.5-6) 3.25 8.41 -101.41 3 3 2 36 257.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-ethyl-benzimidazole 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.62 9.17 -39.76 2 3 1 34 270.4 2 ↓
Lo Low (pH 4.5-6) 3.62 9.57 -100.52 3 3 2 36 271.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-ethyl-benzimidazole 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.62 8.81 -35.49 2 3 1 34 270.4 2 ↓
Lo Low (pH 4.5-6) 3.62 9.4 -99.83 3 3 2 36 271.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-ethyl-benzimidazole 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.62 8.82 -38.85 2 3 1 34 270.4 2 ↓
Lo Low (pH 4.5-6) 3.62 9.38 -102.2 3 3 2 36 271.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-ethyl-benzimidazole 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.62 8.7 -37.8 2 3 1 34 270.4 2 ↓
Lo Low (pH 4.5-6) 3.62 9.32 -100.87 3 3 2 36 271.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-propyl-benzimidazole 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.13 9.93 -39.56 2 3 1 34 284.427 3 ↓
Lo Low (pH 4.5-6) 4.13 10.33 -101.33 3 3 2 36 285.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-propyl-benzimidazole 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.13 9.55 -35.32 2 3 1 34 284.427 3 ↓
Lo Low (pH 4.5-6) 4.13 10.14 -100.78 3 3 2 36 285.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-propyl-benzimidazole 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.13 9.58 -38.67 2 3 1 34 284.427 3 ↓
Lo Low (pH 4.5-6) 4.13 10.13 -102.9 3 3 2 36 285.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-propyl-benzimidazole 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.13 9.45 -37.68 2 3 1 34 284.427 3 ↓
Lo Low (pH 4.5-6) 4.13 10.06 -101.72 3 3 2 36 285.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-isopropyl-benzimidazole 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.99 9.49 -39.22 2 3 1 34 284.427 2 ↓
Lo Low (pH 4.5-6) 3.99 9.83 -100.81 3 3 2 36 285.435 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-isopropyl-benzimidazole 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.99 9.12 -35.32 2 3 1 34 284.427 2 ↓
Lo Low (pH 4.5-6) 3.99 9.69 -100.02 3 3 2 36 285.435 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-isopropyl-benzimidazole 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.99 9.14 -38.38 2 3 1 34 284.427 2 ↓
Lo Low (pH 4.5-6) 3.99 9.64 -102.31 3 3 2 36 285.435 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1-isopropyl-benzimidazole 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.99 9.01 -37.7 2 3 1 34 284.427 2 ↓
Lo Low (pH 4.5-6) 3.99 9.62 -101.09 3 3 2 36 285.435 2 ↓

Parameters Provided:

ring.id = 254663
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 = 254663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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