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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S,5R)-N-(2-adamantyl)-1,2,5-trimethyl-piperidin-4-amine (2R,4S,5R)-N-(2-adamantyl)-1,2,5…

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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) 4.09 8.05 -35.54 2 2 1 20 277.476 2 ↓
Hi High (pH 8-9.5) 4.09 9.26 -31.18 2 2 1 16 277.476 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-N-(2-adamantyl)-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5R)-N-(2-adamantyl)-1,2,5…

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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) 4.09 7.8 -32.68 2 2 1 20 277.476 2 ↓
Hi High (pH 8-9.5) 4.09 9.71 -32.01 2 2 1 16 277.476 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-N-(2-adamantyl)-1,2,5-trimethyl-piperidin-4-amine (2R,4R,5R)-N-(2-adamantyl)-1,2,5…

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) 4.09 7.3 -34.87 2 2 1 20 277.476 2 ↓
Hi High (pH 8-9.5) 4.09 9.01 -32.68 2 2 1 16 277.476 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-N-(2-adamantyl)-1,2,5-trimethyl-piperidin-4-amine (2S,4R,5R)-N-(2-adamantyl)-1,2,5…

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) 4.09 7.6 -34.87 2 2 1 20 277.476 2 ↓
Hi High (pH 8-9.5) 4.09 9.32 -32.19 2 2 1 16 277.476 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-adamantyl)-1-prop-2-ynyl-piperidin-4-amine N-(2-adamantyl)-1-prop-2-ynyl-pi…

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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) 3.45 7.72 -38.49 2 2 1 20 273.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-adamantylamino)piperidine-1-carboxamide 4-(2-adamantylamino)piperidine-1…

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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) 2.56 5.22 -48.32 4 4 1 63 278.42 2 ↓

Parameters Provided:

ring.id = 131241
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 = 131241 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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