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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-adamantylmethyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1-adamantylmethyl)-3-met…

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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) 3.27 10.37 -46.13 1 3 0 45 277.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-adamantylmethyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1-adamantylmethyl)-3-met…

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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) 3.27 10.35 -45.66 1 3 0 45 277.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-adamantylmethyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(1-adamantylmethyl)-3-eth…

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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) 3.61 10.88 -41.95 1 3 0 45 291.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-adamantylmethyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(1-adamantylmethyl)-3-eth…

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) 3.61 10.84 -44.06 1 3 0 45 291.435 4 ↓

Analogs

44684535
44684535
44684537
44684537
44684539
44684539
44684542
44684542
44685923
44685923

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S)-1-(1-adamantyl)ethyl]-N-ethyl-pyrrolidin-3-amine (3R)-1-[(1S)-1-(1-adamantyl)ethy…

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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) 3.89 8.23 -33.53 2 2 1 16 277.476 4 ↓
Hi High (pH 8-9.5) 3.89 6.37 -0.19 1 2 0 15 276.468 4 ↓
Lo Low (pH 4.5-6) 3.89 9.43 -115.43 3 2 2 21 278.484 4 ↓

Analogs

44684535
44684535
44684537
44684537
44684539
44684539
44684542
44684542
44685923
44685923

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S)-1-(1-adamantyl)ethyl]-N-ethyl-pyrrolidin-3-amine (3S)-1-[(1S)-1-(1-adamantyl)ethy…

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) 3.89 8.12 -33.14 2 2 1 16 277.476 4 ↓
Hi High (pH 8-9.5) 3.89 6.43 -0.13 1 2 0 15 276.468 4 ↓
Lo Low (pH 4.5-6) 3.89 9.3 -114.49 3 2 2 21 278.484 4 ↓

Analogs

44684535
44684535
44684537
44684537
44684539
44684539
44684542
44684542
44685923
44685923

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S)-1-(1-adamantyl)ethyl]-N-methyl-pyrrolidin-3-amine (3S)-1-[(1S)-1-(1-adamantyl)ethy…

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) 3.51 7.53 -32.94 2 2 1 16 263.449 3 ↓
Hi High (pH 8-9.5) 3.51 5.66 -0.41 1 2 0 15 262.441 3 ↓
Lo Low (pH 4.5-6) 3.51 8.73 -113.86 3 2 2 21 264.457 3 ↓

Analogs

44684535
44684535
44684537
44684537
44684539
44684539
44684542
44684542
44685923
44685923

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R)-1-(1-adamantyl)ethyl]-N-methyl-pyrrolidin-3-amine (3S)-1-[(1R)-1-(1-adamantyl)ethy…

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) 3.51 7.45 -32.93 2 2 1 16 263.449 3 ↓
Hi High (pH 8-9.5) 3.51 5.39 -0.36 1 2 0 15 262.441 3 ↓
Lo Low (pH 4.5-6) 3.51 8.66 -115.36 3 2 2 21 264.457 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S)-1-(1-adamantyl)ethyl]pyrrolidin-3-amine (3S)-1-[(1S)-1-(1-adamantyl)ethy…

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) 2.61 6.7 -31.7 3 2 1 30 249.422 2 ↓
Lo Low (pH 4.5-6) 2.61 6.99 -118.79 4 2 2 32 250.43 2 ↓
Lo Low (pH 4.5-6) 2.61 5.12 -42.68 3 2 1 31 249.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R)-1-(1-adamantyl)ethyl]pyrrolidin-3-amine (3S)-1-[(1R)-1-(1-adamantyl)ethy…

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) 2.61 6.62 -31.75 3 2 1 30 249.422 2 ↓
Lo Low (pH 4.5-6) 2.61 6.91 -120.7 4 2 2 32 250.43 2 ↓
Lo Low (pH 4.5-6) 2.61 4.86 -43.48 3 2 1 31 249.422 2 ↓

Parameters Provided:

ring.id = 311527
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 = 311527 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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