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

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Popular Name: 4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexanol 4-[(1-methylbenzimidazol-2-yl)me…

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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) 1.45 4.8 -45.62 3 4 1 55 260.361 3 ↓
Hi High (pH 8-9.5) 1.45 3.61 -11.82 2 4 0 50 259.353 3 ↓

Analogs

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Popular Name: (1R,2S,4S)-N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2S,4S)-N-[(1-ethylbenzimidaz…

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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) 3.69 10.39 -42.2 2 3 1 34 286.443 4 ↓
Hi High (pH 8-9.5) 3.69 9.57 -8.15 1 3 0 30 285.435 4 ↓

Analogs

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Popular Name: (1S,2S,4S)-N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2S,4S)-N-[(1-ethylbenzimidaz…

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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) 3.69 10.19 -42.92 2 3 1 34 286.443 4 ↓
Hi High (pH 8-9.5) 3.69 9.22 -7.99 1 3 0 30 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2S,4R)-N-[(1-ethylbenzimidaz…

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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) 3.69 9.98 -44.08 2 3 1 34 286.443 4 ↓
Hi High (pH 8-9.5) 3.69 8.96 -8.09 1 3 0 30 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2S,4R)-N-[(1-ethylbenzimidaz…

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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) 3.69 9.97 -42.9 2 3 1 34 286.443 4 ↓
Hi High (pH 8-9.5) 3.69 9 -8.04 1 3 0 30 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-2,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine (1S,2R,4R)-2,4-dimethyl-N-[(1-me…

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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) 3.31 9.41 -40.75 2 3 1 34 272.416 3 ↓
Hi High (pH 8-9.5) 3.31 8.67 -6.74 1 3 0 30 271.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-2,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine (1S,2R,4S)-2,4-dimethyl-N-[(1-me…

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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) 3.31 9.08 -43.41 2 3 1 34 272.416 3 ↓
Hi High (pH 8-9.5) 3.31 8.05 -6.82 1 3 0 30 271.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-2,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine (1R,2R,4R)-2,4-dimethyl-N-[(1-me…

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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) 3.31 9.28 -43.33 2 3 1 34 272.416 3 ↓
Hi High (pH 8-9.5) 3.31 8.31 -6.84 1 3 0 30 271.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-2,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine (1R,2R,4S)-2,4-dimethyl-N-[(1-me…

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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) 3.31 9.05 -43.4 2 3 1 34 272.416 3 ↓
Hi High (pH 8-9.5) 3.31 8.09 -6.74 1 3 0 30 271.408 3 ↓

Analogs

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Popular Name: (1S,2R,4R)-2,4-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexanamine (1S,2R,4R)-2,4-dimethyl-N-[(1S)-…

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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) 3.87 9.83 -36.36 2 3 1 34 286.443 3 ↓
Hi High (pH 8-9.5) 3.87 9.17 -7.89 1 3 0 30 285.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-2,4-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexanamine (1S,2R,4S)-2,4-dimethyl-N-[(1S)-…

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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) 3.87 9.4 -38.01 2 3 1 34 286.443 3 ↓
Hi High (pH 8-9.5) 3.87 8.55 -7.72 1 3 0 30 285.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-2,4-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexanamine (1R,2R,4R)-2,4-dimethyl-N-[(1S)-…

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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) 3.87 9.39 -39.1 2 3 1 34 286.443 3 ↓
Hi High (pH 8-9.5) 3.87 8.78 -8.24 1 3 0 30 285.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-2,4-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexanamine (1R,2R,4S)-2,4-dimethyl-N-[(1S)-…

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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) 3.87 9.16 -38.86 2 3 1 34 286.443 3 ↓
Hi High (pH 8-9.5) 3.87 8.56 -8.21 1 3 0 30 285.435 3 ↓

Analogs

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Popular Name: 2-[[methyl-(4-methylcyclohexyl)amino]methyl]-3H-benzimidazol-5-amine 2-[[methyl-(4-methylcyclohexyl)a…

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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) 2.07 6.61 -37.91 4 4 1 59 273.404 3 ↓

Parameters Provided:

ring.id = 435984
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 435984 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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