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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497704
35497704

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Popular Name: (1R)-1-(1-adamantyl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (1R)-1-(1-adamantyl)-1-(2,5-dime…

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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) 4.65 9.99 -40.28 2 1 1 17 290.496 3 ↓

Analogs

35497702
35497702

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Popular Name: (1S)-1-(1-adamantyl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (1S)-1-(1-adamantyl)-1-(2,5-dime…

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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) 4.65 9.91 -40.56 2 1 1 17 290.496 3 ↓

Analogs

35502222
35502222

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Popular Name: (1R)-1-(1-adamantyl)-1-(2,5-dichloro-3-thienyl)-N-methyl-methanamine (1R)-1-(1-adamantyl)-1-(2,5-dich…

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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) 5.81 9.62 -41.02 2 1 1 17 331.332 3 ↓

Analogs

35502221
35502221

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Popular Name: (1S)-1-(1-adamantyl)-1-(2,5-dichloro-3-thienyl)-N-methyl-methanamine (1S)-1-(1-adamantyl)-1-(2,5-dich…

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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) 5.81 9.55 -41.22 2 1 1 17 331.332 3 ↓

Analogs

35502923
35502923

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Popular Name: (1R)-1-(1-adamantyl)-1-(2,5-dibromo-3-thienyl)-N-methyl-methanamine (1R)-1-(1-adamantyl)-1-(2,5-dibr…

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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) 6.07 9.79 -40.77 2 1 1 17 420.234 3 ↓

Analogs

35502919
35502919

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Popular Name: (1S)-1-(1-adamantyl)-1-(2,5-dibromo-3-thienyl)-N-methyl-methanamine (1S)-1-(1-adamantyl)-1-(2,5-dibr…

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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) 6.07 9.73 -41 2 1 1 17 420.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1-adamantyl-(2,5-dichloro-3-thienyl)methanamine (R)-1-adamantyl-(2,5-dichloro-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) 3.56 7.93 -47.53 3 1 1 28 317.305 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1-adamantyl-(2,5-dichloro-3-thienyl)methanamine (S)-1-adamantyl-(2,5-dichloro-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) 3.56 7.91 -47.88 3 1 1 28 317.305 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1-adamantyl-(2,5-dibromo-3-thienyl)methanamine (R)-1-adamantyl-(2,5-dibromo-3-t…

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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) 3.82 8.1 -47.31 3 1 1 28 406.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1-adamantyl-(2,5-dibromo-3-thienyl)methanamine (S)-1-adamantyl-(2,5-dibromo-3-t…

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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) 3.82 8.1 -47.67 3 1 1 28 406.207 2 ↓

Parameters Provided:

ring.id = 17445
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 = 17445 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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