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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: (3S,4S)-N-ethyl-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-amine (3S,4S)-N-ethyl-3-(2-ethylbenzim…

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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) 2.41 6.98 -49.77 2 4 1 44 274.388 4 ↓
Hi High (pH 8-9.5) 2.41 5.62 -11.31 1 4 0 39 273.38 4 ↓
Mid Mid (pH 6-8) 2.41 7.55 -93.71 3 4 2 45 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-N-ethyl-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-amine (3R,4S)-N-ethyl-3-(2-ethylbenzim…

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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) 2.41 7.11 -42.17 2 4 1 44 274.388 4 ↓
Hi High (pH 8-9.5) 2.41 5.83 -6.34 1 4 0 39 273.38 4 ↓
Mid Mid (pH 6-8) 2.41 7.41 -93.12 3 4 2 45 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-N-ethyl-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-amine (3S,4R)-N-ethyl-3-(2-ethylbenzim…

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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) 2.41 6.98 -43.2 2 4 1 44 274.388 4 ↓
Hi High (pH 8-9.5) 2.41 5.59 -8.04 1 4 0 39 273.38 4 ↓
Mid Mid (pH 6-8) 2.41 7.47 -91.17 3 4 2 45 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-N-ethyl-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-amine (3R,4R)-N-ethyl-3-(2-ethylbenzim…

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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) 2.41 7.14 -47.74 2 4 1 44 274.388 4 ↓
Hi High (pH 8-9.5) 2.41 6.23 -9.2 1 4 0 39 273.38 4 ↓
Mid Mid (pH 6-8) 2.41 7.39 -96.52 3 4 2 45 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(2-ethylbenzimidazol-1-yl)-N-methyl-tetrahydropyran-4-amine (3S,4S)-3-(2-ethylbenzimidazol-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) 2.03 6.13 -50.64 2 4 1 44 260.361 3 ↓
Hi High (pH 8-9.5) 2.03 4.71 -11.47 1 4 0 39 259.353 3 ↓
Mid Mid (pH 6-8) 2.03 6.73 -94.52 3 4 2 45 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(2-ethylbenzimidazol-1-yl)-N-methyl-tetrahydropyran-4-amine (3R,4S)-3-(2-ethylbenzimidazol-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) 2.03 6.27 -43.48 2 4 1 44 260.361 3 ↓
Hi High (pH 8-9.5) 2.03 4.91 -6.48 1 4 0 39 259.353 3 ↓
Mid Mid (pH 6-8) 2.03 6.58 -94.12 3 4 2 45 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(2-ethylbenzimidazol-1-yl)-N-methyl-tetrahydropyran-4-amine (3S,4R)-3-(2-ethylbenzimidazol-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) 2.03 6.14 -44.53 2 4 1 44 260.361 3 ↓
Hi High (pH 8-9.5) 2.03 4.66 -8.17 1 4 0 39 259.353 3 ↓
Mid Mid (pH 6-8) 2.03 6.63 -92.26 3 4 2 45 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(2-ethylbenzimidazol-1-yl)-N-methyl-tetrahydropyran-4-amine (3R,4R)-3-(2-ethylbenzimidazol-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) 2.03 6.3 -48.76 2 4 1 44 260.361 3 ↓
Hi High (pH 8-9.5) 2.03 5.33 -9.29 1 4 0 39 259.353 3 ↓
Mid Mid (pH 6-8) 2.03 6.55 -97.22 3 4 2 45 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-amine (3S,4S)-3-(2-ethylbenzimidazol-1…

Find On: PubMed — Wikipedia — Google

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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) 1.12 4.43 -55.99 3 4 1 55 246.334 2 ↓
Hi High (pH 8-9.5) 1.12 3.89 -12.1 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.12 4.97 -100.68 4 4 2 56 247.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-amine (3R,4S)-3-(2-ethylbenzimidazol-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.12 4.46 -48.61 3 4 1 55 246.334 2 ↓
Hi High (pH 8-9.5) 1.12 4.19 -6.51 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.12 4.83 -100.2 4 4 2 56 247.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-amine (3S,4R)-3-(2-ethylbenzimidazol-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.12 4.39 -49.73 3 4 1 55 246.334 2 ↓
Hi High (pH 8-9.5) 1.12 3.85 -8.58 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.12 4.86 -98.25 4 4 2 56 247.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-amine (3R,4R)-3-(2-ethylbenzimidazol-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.12 4.54 -54.08 3 4 1 55 246.334 2 ↓
Hi High (pH 8-9.5) 1.12 4.32 -9.3 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.12 4.85 -103.33 4 4 2 56 247.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(2-ethylbenzimidazol-1-yl)-N-propyl-tetrahydropyran-4-amine (3R,4R)-3-(2-ethylbenzimidazol-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) 2.91 7.89 -48.33 2 4 1 44 288.415 5 ↓
Hi High (pH 8-9.5) 2.91 6.47 -11.18 1 4 0 39 287.407 5 ↓
Mid Mid (pH 6-8) 2.91 8.16 -98.24 3 4 2 45 289.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(2-ethylbenzimidazol-1-yl)-N-propyl-tetrahydropyran-4-amine (3R,4S)-3-(2-ethylbenzimidazol-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) 2.91 7.87 -42.73 2 4 1 44 288.415 5 ↓
Hi High (pH 8-9.5) 2.91 6.57 -7.95 1 4 0 39 287.407 5 ↓
Mid Mid (pH 6-8) 2.91 8.18 -94.76 3 4 2 45 289.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(2-ethylbenzimidazol-1-yl)-N-propyl-tetrahydropyran-4-amine (3S,4R)-3-(2-ethylbenzimidazol-1…

Find On: PubMed — Wikipedia — Google

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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 7.75 -43.81 2 4 1 44 288.415 5 ↓
Hi High (pH 8-9.5) 2.91 6.53 -6.27 1 4 0 39 287.407 5 ↓
Mid Mid (pH 6-8) 2.91 8.23 -92.71 3 4 2 45 289.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(2-ethylbenzimidazol-1-yl)-N-propyl-tetrahydropyran-4-amine (3S,4S)-3-(2-ethylbenzimidazol-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.74 -50.46 2 4 1 44 288.415 5 ↓
Hi High (pH 8-9.5) 2.91 6.44 -9.06 1 4 0 39 287.407 5 ↓
Mid Mid (pH 6-8) 2.91 8.32 -95.35 3 4 2 45 289.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-ol (3R,4S)-3-(2-ethylbenzimidazol-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) 1.62 3.61 -13.37 1 4 0 47 246.31 2 ↓
Mid Mid (pH 6-8) 1.62 4.14 -25.21 2 4 1 49 247.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-ol (3S,4S)-3-(2-ethylbenzimidazol-1…

Find On: PubMed — Wikipedia — Google

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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) 1.62 3.65 -9.81 1 4 0 47 246.31 2 ↓
Mid Mid (pH 6-8) 1.62 4.05 -24.95 2 4 1 49 247.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-ol (3R,4R)-3-(2-ethylbenzimidazol-1…

Find On: PubMed — Wikipedia — Google

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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) 1.62 3.61 -9.86 1 4 0 47 246.31 2 ↓
Mid Mid (pH 6-8) 1.62 4.04 -25.16 2 4 1 49 247.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(2-ethylbenzimidazol-1-yl)tetrahydropyran-4-ol (3S,4R)-3-(2-ethylbenzimidazol-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) 1.62 4.16 -9.66 1 4 0 47 246.31 2 ↓
Mid Mid (pH 6-8) 1.62 4.6 -26.32 2 4 1 49 247.318 2 ↓

Parameters Provided:

ring.id = 276287
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 = 276287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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