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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: (1S)-1-(1-adamantyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (1S)-1-(1-adamantyl)-N-(1H-imida…

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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) 2.99 8.16 -37.28 3 3 1 45 260.405 4 ↓
Hi High (pH 8-9.5) 2.99 7.14 -5.3 2 3 0 41 259.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-adamantyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (1R)-1-(1-adamantyl)-N-(1H-imida…

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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) 2.99 8.16 -37.86 3 3 1 45 260.405 4 ↓
Hi High (pH 8-9.5) 2.99 7.28 -4.98 2 3 0 41 259.397 4 ↓

Analogs

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Popular Name: (1S)-1-(1-adamantyl)-N-[(4-methyl-1H-imidazol-5-yl)methyl]ethanamine (1S)-1-(1-adamantyl)-N-[(4-methy…

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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) 3.21 8.7 -37.01 3 3 1 45 274.432 4 ↓
Hi High (pH 8-9.5) 3.21 7.81 -6.39 2 3 0 41 273.424 4 ↓
Lo Low (pH 4.5-6) 3.21 9.14 -108.61 4 3 2 47 275.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-adamantyl)-N-[(4-methyl-1H-imidazol-5-yl)methyl]ethanamine (1R)-1-(1-adamantyl)-N-[(4-methy…

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) 3.21 8.7 -37.57 3 3 1 45 274.432 4 ↓
Hi High (pH 8-9.5) 3.21 7.66 -6.35 2 3 0 41 273.424 4 ↓
Lo Low (pH 4.5-6) 3.21 9.14 -108.69 4 3 2 47 275.44 4 ↓

Analogs

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Popular Name: (1S)-1-(1-adamantyl)-N-[(2-methyl-1H-imidazol-4-yl)methyl]ethanamine (1S)-1-(1-adamantyl)-N-[(2-methy…

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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) 3.08 8.02 -37.23 3 3 1 45 274.432 4 ↓
Hi High (pH 8-9.5) 3.08 7.14 -6.35 2 3 0 41 273.424 4 ↓
Lo Low (pH 4.5-6) 3.08 8.45 -107.88 4 3 2 47 275.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-adamantyl)-N-[(2-methyl-1H-imidazol-4-yl)methyl]ethanamine (1R)-1-(1-adamantyl)-N-[(2-methy…

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) 3.08 8.01 -37.83 3 3 1 45 274.432 4 ↓
Hi High (pH 8-9.5) 3.08 7 -6.33 2 3 0 41 273.424 4 ↓
Lo Low (pH 4.5-6) 3.08 8.46 -108.1 4 3 2 47 275.44 4 ↓

Parameters Provided:

ring.id = 152476
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 = 152476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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