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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: (1R,8R)-N-(1H-imidazol-5-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-(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) 0.26 5.15 -78.95 4 4 2 46 208.309 3 ↓
Hi High (pH 8-9.5) 0.26 2.2 -6.93 2 4 0 44 206.293 3 ↓
Mid Mid (pH 6-8) 0.26 4.69 -35.6 3 4 1 45 207.301 3 ↓

Analogs

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Popular Name: (1S,8R)-N-(1H-imidazol-5-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-(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) 0.26 4.52 -78.93 4 4 2 46 208.309 3 ↓
Hi High (pH 8-9.5) 0.26 1.55 -7.17 2 4 0 44 206.293 3 ↓
Mid Mid (pH 6-8) 0.26 4.06 -35.3 3 4 1 45 207.301 3 ↓

Analogs

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Popular Name: (1R,8R)-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(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) 0.48 5.72 -78.39 4 4 2 46 222.336 3 ↓
Hi High (pH 8-9.5) 0.48 2.73 -6.95 2 4 0 44 220.32 3 ↓
Mid Mid (pH 6-8) 0.48 5.22 -36.05 3 4 1 45 221.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(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) 0.48 5.09 -78.31 4 4 2 46 222.336 3 ↓
Hi High (pH 8-9.5) 0.48 2.08 -7.13 2 4 0 44 220.32 3 ↓
Mid Mid (pH 6-8) 0.48 4.59 -35.77 3 4 1 45 221.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(2-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) 0.35 4.96 -75.8 4 4 2 46 222.336 3 ↓
Hi High (pH 8-9.5) 0.35 2.06 -6.94 2 4 0 44 220.32 3 ↓
Mid Mid (pH 6-8) 0.35 4.54 -35.66 3 4 1 45 221.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(2-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) 0.35 4.33 -75.8 4 4 2 46 222.336 3 ↓
Hi High (pH 8-9.5) 0.35 1.4 -7.23 2 4 0 44 220.32 3 ↓
Mid Mid (pH 6-8) 0.35 3.92 -35.35 3 4 1 45 221.328 3 ↓

Parameters Provided:

ring.id = 152790
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 = 152790 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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