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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: 2-[4-[[(2R,4aS,8aR)-decalin-2-yl]amino]-1-piperidyl]acetamide 2-[4-[[(2R,4aS,8aR)-decalin-2-yl…

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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) 2.06 3.52 -42.58 4 4 1 63 294.463 4 ↓
Mid Mid (pH 6-8) 2.06 4.73 -37.8 4 4 1 60 294.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2R,4aS,8aS)-decalin-2-yl]amino]-1-piperidyl]acetamide 2-[4-[[(2R,4aS,8aS)-decalin-2-yl…

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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) 2.06 4.12 -40.88 4 4 1 63 294.463 4 ↓
Mid Mid (pH 6-8) 2.06 5.65 -38.42 4 4 1 60 294.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2S,4aS,8aR)-decalin-2-yl]amino]-1-piperidyl]acetamide 2-[4-[[(2S,4aS,8aR)-decalin-2-yl…

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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) 2.06 3.54 -42.07 4 4 1 63 294.463 4 ↓
Mid Mid (pH 6-8) 2.06 4.73 -38.38 4 4 1 60 294.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2S,4aS,8aS)-decalin-2-yl]amino]-1-piperidyl]acetamide 2-[4-[[(2S,4aS,8aS)-decalin-2-yl…

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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) 2.06 3.92 -41.88 4 4 1 63 294.463 4 ↓
Mid Mid (pH 6-8) 2.06 5.1 -38.01 4 4 1 60 294.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aS,8aR)-decalin-2-yl]-1-butyl-piperidin-4-amine N-[(2R,4aS,8aR)-decalin-2-yl]-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) 4.77 8.77 -37.98 2 2 1 20 293.519 5 ↓
Lo Low (pH 4.5-6) 4.77 11.01 -108.62 3 2 2 21 294.527 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aS,8aR)-decalin-2-yl]-1-butyl-piperidin-4-amine N-[(2S,4aS,8aR)-decalin-2-yl]-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) 4.77 8.8 -37.4 2 2 1 20 293.519 5 ↓
Lo Low (pH 4.5-6) 4.77 11.02 -108.16 3 2 2 21 294.527 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aR,8aR)-decalin-2-yl]-1-butyl-piperidin-4-amine N-[(2R,4aR,8aR)-decalin-2-yl]-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) 4.77 9.13 -37.27 2 2 1 20 293.519 5 ↓
Lo Low (pH 4.5-6) 4.77 11.37 -107.1 3 2 2 21 294.527 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,8aR)-decalin-2-yl]-1-butyl-piperidin-4-amine N-[(2S,4aR,8aR)-decalin-2-yl]-1-…

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) 4.77 9.37 -36.12 2 2 1 20 293.519 5 ↓
Lo Low (pH 4.5-6) 4.77 11.59 -107.71 3 2 2 21 294.527 5 ↓

Parameters Provided:

ring.id = 563913
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 = 563913 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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