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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: (3R)-3-methyl-N-(2-methyl-1H-benzimidazol-5-yl)pyrrolidine-3-carboxamide (3R)-3-methyl-N-(2-methyl-1H-ben…

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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) 1.20 3.58 -46.42 4 5 1 74 259.333 2 ↓
Lo Low (pH 4.5-6) 1.20 4.01 -80.7 5 5 2 76 260.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(2-methyl-1H-benzimidazol-5-yl)pyrrolidine-3-carboxamide (3S)-3-methyl-N-(2-methyl-1H-ben…

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) 1.20 3.64 -47.14 4 5 1 74 259.333 2 ↓
Lo Low (pH 4.5-6) 1.20 4.07 -80.37 5 5 2 76 260.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(2-methyl-1H-benzimidazol-5-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(2-methyl-1H-benz…

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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) 1.54 4.11 -47.76 4 5 1 74 273.36 3 ↓
Lo Low (pH 4.5-6) 1.54 4.56 -80.61 5 5 2 76 274.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(2-methyl-1H-benzimidazol-5-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(2-methyl-1H-benz…

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) 1.54 4.17 -45.41 4 5 1 74 273.36 3 ↓
Lo Low (pH 4.5-6) 1.54 4.61 -81.35 5 5 2 76 274.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-methyl-1H-benzimidazol-5-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(2-methyl-1H-benzimidazol…

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) 2.10 4.9 -48.35 4 5 1 74 287.387 4 ↓
Lo Low (pH 4.5-6) 2.10 5.34 -81.18 5 5 2 76 288.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-methyl-1H-benzimidazol-5-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(2-methyl-1H-benzimidazol…

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) 2.10 4.93 -45.84 4 5 1 74 287.387 4 ↓
Lo Low (pH 4.5-6) 2.10 5.37 -82.12 5 5 2 76 288.395 4 ↓

Parameters Provided:

ring.id = 301591
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 = 301591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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