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Analogs

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Popular Name: (2R,4aS,8aR)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]decalin-2-amine (2R,4aS,8aR)-N-[(1S,2R,4R)-2,4-d…

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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) 5.06 10.5 -34.4 2 1 1 17 264.477 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]decalin-2-amine (2R,4aS,8aR)-N-[(1S,2R,4S)-2,4-d…

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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) 5.06 10.07 -36.78 2 1 1 17 264.477 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]decalin-2-amine (2R,4aS,8aR)-N-[(1R,2R,4R)-2,4-d…

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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) 5.06 10.24 -36.28 2 1 1 17 264.477 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]decalin-2-amine (2R,4aS,8aR)-N-[(1R,2R,4S)-2,4-d…

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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) 5.06 10.01 -36.44 2 1 1 17 264.477 2 ↓

Analogs

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Popular Name: 4-[[(2R,4aS,8aR)-decalin-2-yl]amino]cyclohexanecarboxamide 4-[[(2R,4aS,8aR)-decalin-2-yl]am…

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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) 2.95 5.49 -39.29 4 3 1 60 279.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R,4aS,8aS)-decalin-2-yl]amino]cyclohexanecarboxamide 4-[[(2R,4aS,8aS)-decalin-2-yl]am…

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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) 2.95 6.22 -46.02 4 3 1 60 279.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,4aS,8aR)-decalin-2-yl]amino]cyclohexanecarboxamide 4-[[(2S,4aS,8aR)-decalin-2-yl]am…

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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) 2.95 5.66 -47.32 4 3 1 60 279.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,4aS,8aS)-decalin-2-yl]amino]cyclohexanecarboxamide 4-[[(2S,4aS,8aS)-decalin-2-yl]am…

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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) 2.95 5.9 -38.46 4 3 1 60 279.448 3 ↓

Analogs

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Popular Name: (1S,3R)-3-[[(2R,4aS,8aR)-decalin-2-yl]amino]cyclohexanol (1S,3R)-3-[[(2R,4aS,8aR)-decalin…

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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) 3.43 5.63 -38.76 3 2 1 37 252.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(2R,4aS,8aS)-decalin-2-yl]amino]cyclohexanol (1S,3R)-3-[[(2R,4aS,8aS)-decalin…

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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) 3.43 6.21 -36.96 3 2 1 37 252.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(2S,4aS,8aR)-decalin-2-yl]amino]cyclohexanol (1S,3R)-3-[[(2S,4aS,8aR)-decalin…

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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) 3.43 5.65 -38.36 3 2 1 37 252.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(2S,4aS,8aS)-decalin-2-yl]amino]cyclohexanol (1S,3R)-3-[[(2S,4aS,8aS)-decalin…

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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) 3.43 6.02 -38.28 3 2 1 37 252.422 2 ↓

Parameters Provided:

ring.id = 524224
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 = 524224 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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