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Analogs

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Popular Name: (2R)-1-[(2R)-2-(1H-indol-2-yl)-1-piperidyl]-2-methyl-3-methylsulfanyl-propan-1-one (2R)-1-[(2R)-2-(1H-indol-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) 3.89 9.42 -8.89 1 3 0 36 316.47 4 ↓

Analogs

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Popular Name: (2S)-1-[(2R)-2-(1H-indol-2-yl)-1-piperidyl]-2-methyl-3-methylsulfanyl-propan-1-one (2S)-1-[(2R)-2-(1H-indol-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) 3.89 9.28 -9 1 3 0 36 316.47 4 ↓

Analogs

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Popular Name: (2R)-1-[(2S)-2-(1H-indol-2-yl)-1-piperidyl]-2-methyl-3-methylsulfanyl-propan-1-one (2R)-1-[(2S)-2-(1H-indol-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) 3.89 9.37 -8.95 1 3 0 36 316.47 4 ↓

Analogs

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Popular Name: (2S)-1-[(2S)-2-(1H-indol-2-yl)-1-piperidyl]-2-methyl-3-methylsulfanyl-propan-1-one (2S)-1-[(2S)-2-(1H-indol-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) 3.89 9.39 -8.89 1 3 0 36 316.47 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-(1H-indol-2-yl)-1-piperidyl]-N-(methylcarbamoyl)propanamide 3-[(2R)-2-(1H-indol-2-yl)-1-pipe…

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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) 2.32 7.18 -57.93 4 6 1 78 329.424 4 ↓
Hi High (pH 8-9.5) 2.32 5.1 -21.23 3 6 0 77 328.416 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-(1H-indol-2-yl)-1-piperidyl]-N-(methylcarbamoyl)propanamide 3-[(2S)-2-(1H-indol-2-yl)-1-pipe…

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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) 2.32 7.18 -57.89 4 6 1 78 329.424 4 ↓
Hi High (pH 8-9.5) 2.32 5.11 -21.22 3 6 0 77 328.416 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-(1H-indol-2-yl)-1-piperidyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(2S)-2-(1H-indol-2-yl)-1-pipe…

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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) 3.83 8.15 -39.53 3 4 1 49 340.369 5 ↓
Mid Mid (pH 6-8) 3.83 6.08 -6.48 2 4 0 48 339.361 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-(1H-indol-2-yl)-1-piperidyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(2R)-2-(1H-indol-2-yl)-1-pipe…

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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) 3.83 8.09 -39.48 3 4 1 49 340.369 5 ↓
Mid Mid (pH 6-8) 3.83 5.97 -6.46 2 4 0 48 339.361 5 ↓

Analogs

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Popular Name: (2R)-N-(2-cyanoethyl)-2-(1H-indol-2-yl)-N-methyl-piperidine-1-sulfonamide (2R)-N-(2-cyanoethyl)-2-(1H-indo…

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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) 2.13 6.48 -16.44 1 6 0 80 346.456 5 ↓

Analogs

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Popular Name: N-[3-[(2R)-2-(1H-indol-2-yl)-1-piperidyl]propyl]methanesulfonamide N-[3-[(2R)-2-(1H-indol-2-yl)-1-p…

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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) 2.72 5.6 -50.74 3 5 1 66 336.481 6 ↓
Hi High (pH 8-9.5) 2.72 3.5 -13.66 2 5 0 65 335.473 6 ↓

Analogs

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Popular Name: N-[3-[(2S)-2-(1H-indol-2-yl)-1-piperidyl]propyl]methanesulfonamide N-[3-[(2S)-2-(1H-indol-2-yl)-1-p…

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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) 2.72 5.6 -48.67 3 5 1 66 336.481 6 ↓
Hi High (pH 8-9.5) 2.72 3.51 -12.08 2 5 0 65 335.473 6 ↓

Parameters Provided:

ring.id = 257923
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 = 257923 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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