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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: 1-[(2S)-2-(1H-imidazol-5-ylmethylamino)propyl]pyrrolidin-2-one 1-[(2S)-2-(1H-imidazol-5-ylmethy…

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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) -0.19 4.9 -41.39 3 5 1 66 223.3 5 ↓
Hi High (pH 8-9.5) -0.19 3.49 -13.41 2 5 0 61 222.292 5 ↓
Mid Mid (pH 6-8) -0.19 3.98 -36.57 3 5 1 62 223.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(1H-imidazol-5-ylmethylamino)propyl]pyrrolidin-2-one 1-[(2R)-2-(1H-imidazol-5-ylmethy…

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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) -0.19 4.82 -35.72 3 5 1 66 223.3 5 ↓
Hi High (pH 8-9.5) -0.19 3.73 -13.17 2 5 0 61 222.292 5 ↓
Mid Mid (pH 6-8) -0.19 4.22 -35.52 3 5 1 62 223.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-[(4-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one 1-[(2S)-2-[(4-methyl-1H-imidazol…

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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) 0.03 5.44 -41.1 3 5 1 66 237.327 5 ↓
Hi High (pH 8-9.5) 0.03 4.43 -12.76 2 5 0 61 236.319 5 ↓
Mid Mid (pH 6-8) 0.03 5.88 -108.67 4 5 2 67 238.335 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-[(4-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one 1-[(2R)-2-[(4-methyl-1H-imidazol…

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) 0.03 5.35 -35.56 3 5 1 66 237.327 5 ↓
Hi High (pH 8-9.5) 0.03 4.04 -15.69 2 5 0 61 236.319 5 ↓
Mid Mid (pH 6-8) 0.03 5.79 -94.94 4 5 2 67 238.335 5 ↓

Parameters Provided:

ring.id = 152811
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 = 152811 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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