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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: [(2R)-1-(1-methylimidazol-2-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(1-methylimidazol-2-yl)p…

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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) -0.39 5.31 -94.26 4 4 2 50 182.271 2 ↓

Analogs

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Popular Name: [(2S)-1-(1-methylimidazol-2-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(1-methylimidazol-2-yl)p…

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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) -0.39 5.27 -94.51 4 4 2 50 182.271 2 ↓

Analogs

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Popular Name: [(2R)-1-(1-ethylimidazol-2-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(1-ethylimidazol-2-yl)py…

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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) -0.01 6.18 -94.7 4 4 2 50 196.298 3 ↓

Analogs

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Popular Name: [(2S)-1-(1-ethylimidazol-2-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(1-ethylimidazol-2-yl)py…

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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) -0.01 6.12 -94.58 4 4 2 50 196.298 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1-methylimidazo…

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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) 0.41 8.28 -48.07 1 5 0 62 209.249 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1-methylimidazo…

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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) 0.41 8.34 -47.56 1 5 0 62 209.249 2 ↓

Analogs

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Popular Name: (3R)-1-(1-ethylimidazol-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1-ethylimidazol-2-yl)-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) 0.79 9.07 -48.09 1 5 0 62 223.276 3 ↓

Analogs

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Popular Name: (3S)-1-(1-ethylimidazol-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1-ethylimidazol-2-yl)-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) 0.79 9.11 -46.75 1 5 0 62 223.276 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1-methylimidazol…

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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) 0.74 8.76 -46.95 1 5 0 62 223.276 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1-methylimidazol…

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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) 0.74 8.86 -44.44 1 5 0 62 223.276 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(1-ethylimidazol-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1-ethylimidazol-…

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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 9.54 -46.27 1 5 0 62 237.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1-ethylimidazol-2-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1-ethylimidazol-…

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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 9.65 -43.67 1 5 0 62 237.303 4 ↓

Analogs

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Popular Name: (3S)-1-(1-methylimidazol-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1-methylimidazol-2-yl)-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) 1.30 9.53 -47.04 1 5 0 62 237.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-methylimidazol-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1-methylimidazol-2-yl)-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) 1.30 9.62 -44.48 1 5 0 62 237.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-ethylimidazol-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1-ethylimidazol-2-yl)-3-…

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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) 1.68 10.31 -46.44 1 5 0 62 251.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-ethylimidazol-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1-ethylimidazol-2-yl)-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) 1.68 10.41 -43.75 1 5 0 62 251.33 5 ↓

Analogs

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Popular Name: 2-pyrrolidin-1-yl-1H-imidazole-4-carbaldehyde 2-pyrrolidin-1-yl-1H-imidazole-4…

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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) 0.78 5.12 -16.49 1 4 0 49 165.196 2 ↓
Lo Low (pH 4.5-6) 0.78 5.56 -30.13 2 4 1 50 166.204 2 ↓

Parameters Provided:

ring.id = 109135
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 = 109135 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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