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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: N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl N-[(2S)-2-(dimethylamino)-2-(4-e…

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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) 3.35 10.65 -53.54 2 8 1 89 500.689 11 ↓
Hi High (pH 8-9.5) 3.35 8.41 -17.6 1 8 0 88 499.681 11 ↓
Lo Low (pH 4.5-6) 3.35 10.94 -92.36 3 8 2 90 501.697 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl N-[(2R)-2-(dimethylamino)-2-(4-e…

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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) 3.35 10.65 -55.66 2 8 1 89 500.689 11 ↓
Hi High (pH 8-9.5) 3.35 8.63 -18.66 1 8 0 88 499.681 11 ↓
Lo Low (pH 4.5-6) 3.35 10.93 -92.09 3 8 2 90 501.697 11 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]-3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanam N-[(2S)-2-dimethylamino-2-(3-met…

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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) 2.35 6.09 -67.03 4 9 1 121 488.634 11 ↓
Hi High (pH 8-9.5) 2.35 3.61 -21.8 3 9 0 120 487.626 11 ↓
Lo Low (pH 4.5-6) 2.35 6.49 -113.32 5 9 2 122 489.642 11 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]-3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanam N-[(2R)-2-dimethylamino-2-(3-met…

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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) 2.35 6.07 -57.61 4 9 1 121 488.634 11 ↓
Hi High (pH 8-9.5) 2.35 3.97 -20.75 3 9 0 120 487.626 11 ↓
Lo Low (pH 4.5-6) 2.35 6.46 -98.8 5 9 2 122 489.642 11 ↓

Analogs

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Popular Name: 3-(1H-benzimidazol-2-yl)-N-[(2S)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]propanamide 3-(1H-benzimidazol-2-yl)-N-[(2S)…

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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) 2.74 8.2 -52.69 3 6 1 71 367.473 8 ↓

Analogs

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Popular Name: 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]propanamide 3-(1H-benzimidazol-2-yl)-N-[(2R)…

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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) 2.74 8.51 -52.44 3 6 1 71 367.473 8 ↓

Analogs

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Popular Name: (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-phenyl-propanamide (2S)-2-[3-(1H-benzimidazol-2-yl)…

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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) 2.17 4.8 -17.77 4 6 0 101 336.395 7 ↓
Lo Low (pH 4.5-6) 2.17 5.25 -37.39 5 6 1 102 337.403 7 ↓

Analogs

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Popular Name: (2R)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-phenyl-propanamide (2R)-2-[3-(1H-benzimidazol-2-yl)…

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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) 2.17 4.8 -16.8 4 6 0 101 336.395 7 ↓
Lo Low (pH 4.5-6) 2.17 5.25 -37.38 5 6 1 102 337.403 7 ↓

Analogs

39261703
39261703

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Popular Name: 3-(1H-benzimidazol-2-yl)-N-[2-(3,5-difluorophenyl)ethyl]propanamide 3-(1H-benzimidazol-2-yl)-N-[2-(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) 3.15 7.71 -13.15 2 4 0 58 329.35 6 ↓
Lo Low (pH 4.5-6) 3.15 8.17 -37.9 3 4 1 59 330.358 6 ↓

Parameters Provided:

ring.id = 24387
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 = 24387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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