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Popular Name: (2S)-2-(3-thienylmethyl)piperidine (2S)-2-(3-thienylmethyl)piperidine

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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) 2.38 5.93 -34.48 2 1 1 17 182.312 2 ↓

Analogs

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Popular Name: (2R)-2-(3-thienylmethyl)piperidine (2R)-2-(3-thienylmethyl)piperidine

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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) 2.38 5.89 -34.11 2 1 1 17 182.312 2 ↓

Analogs

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Popular Name: (S)-[(2S)-2-piperidyl]-(3-thienyl)methanol (S)-[(2S)-2-piperidyl]-(3-thieny…

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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) 1.39 3.24 -36.6 3 2 1 37 198.311 2 ↓
Hi High (pH 8-9.5) 1.39 1.94 -2.44 2 2 0 32 197.303 2 ↓

Analogs

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Popular Name: (R)-[(2S)-2-piperidyl]-(3-thienyl)methanol (R)-[(2S)-2-piperidyl]-(3-thieny…

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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) 1.39 2.79 -37.67 3 2 1 37 198.311 2 ↓
Hi High (pH 8-9.5) 1.39 1.5 -2.95 2 2 0 32 197.303 2 ↓

Analogs

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Popular Name: (S)-[(2R)-2-piperidyl]-(3-thienyl)methanol (S)-[(2R)-2-piperidyl]-(3-thieny…

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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) 1.39 2.75 -37.62 3 2 1 37 198.311 2 ↓
Hi High (pH 8-9.5) 1.39 1.6 -3.05 2 2 0 32 197.303 2 ↓

Analogs

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Popular Name: (R)-[(2R)-2-piperidyl]-(3-thienyl)methanol (R)-[(2R)-2-piperidyl]-(3-thieny…

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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) 1.39 3.23 -36.15 3 2 1 37 198.311 2 ↓
Hi High (pH 8-9.5) 1.39 2.27 -2.91 2 2 0 32 197.303 2 ↓

Analogs

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Popular Name: (R)-[(2S,4R)-4-methyl-2-piperidyl]-(3-thienyl)methanol (R)-[(2S,4R)-4-methyl-2-piperidy…

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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) 1.64 3.37 -36.82 3 2 1 37 212.338 2 ↓

Analogs

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Popular Name: (R)-[(2S,4S)-4-methyl-2-piperidyl]-(3-thienyl)methanol (R)-[(2S,4S)-4-methyl-2-piperidy…

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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) 1.64 3.14 -36.34 3 2 1 37 212.338 2 ↓

Analogs

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Popular Name: (R)-[(2R,4R)-4-methyl-2-piperidyl]-(3-thienyl)methanol (R)-[(2R,4R)-4-methyl-2-piperidy…

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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) 1.64 3.61 -36.55 3 2 1 37 212.338 2 ↓

Analogs

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Popular Name: (R)-[(2R,4S)-4-methyl-2-piperidyl]-(3-thienyl)methanol (R)-[(2R,4S)-4-methyl-2-piperidy…

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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) 1.64 3.84 -37.03 3 2 1 37 212.338 2 ↓

Analogs

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Popular Name: (R)-[(2S,4R)-4-ethyl-2-piperidyl]-(3-thienyl)methanol (R)-[(2S,4R)-4-ethyl-2-piperidyl…

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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 4.03 -37.24 3 2 1 37 226.365 3 ↓

Analogs

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Popular Name: (R)-[(2S,4S)-4-ethyl-2-piperidyl]-(3-thienyl)methanol (R)-[(2S,4S)-4-ethyl-2-piperidyl…

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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 3.76 -36.99 3 2 1 37 226.365 3 ↓

Analogs

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Popular Name: (R)-[(2R,4R)-4-ethyl-2-piperidyl]-(3-thienyl)methanol (R)-[(2R,4R)-4-ethyl-2-piperidyl…

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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 4.23 -37.25 3 2 1 37 226.365 3 ↓

Analogs

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Popular Name: (R)-[(2R,4S)-4-ethyl-2-piperidyl]-(3-thienyl)methanol (R)-[(2R,4S)-4-ethyl-2-piperidyl…

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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 4.49 -37.54 3 2 1 37 226.365 3 ↓

Analogs

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Popular Name: (S)-(2,5-dimethyl-3-thienyl)-[(2S,4R)-4-methyl-2-piperidyl]methanol (S)-(2,5-dimethyl-3-thienyl)-[(2…

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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) 2.08 5.31 -36.54 3 2 1 37 240.392 2 ↓

Analogs

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Popular Name: (R)-(2,5-dimethyl-3-thienyl)-[(2S,4R)-4-methyl-2-piperidyl]methanol (R)-(2,5-dimethyl-3-thienyl)-[(2…

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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) 2.08 5.38 -37.04 3 2 1 37 240.392 2 ↓

Analogs

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Popular Name: (S)-(2,5-dimethyl-3-thienyl)-[(2R,4R)-4-methyl-2-piperidyl]methanol (S)-(2,5-dimethyl-3-thienyl)-[(2…

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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) 2.08 5.16 -36.11 3 2 1 37 240.392 2 ↓

Analogs

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Popular Name: (R)-(2,5-dimethyl-3-thienyl)-[(2R,4R)-4-methyl-2-piperidyl]methanol (R)-(2,5-dimethyl-3-thienyl)-[(2…

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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) 2.08 5.1 -35.59 3 2 1 37 240.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-methyl-2-(3-thienylmethyl)piperidine (2S,4R)-4-methyl-2-(3-thienylmet…

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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) 2.63 6.5 -34.97 2 1 1 17 196.339 2 ↓

Analogs

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Popular Name: (2S,4S)-4-methyl-2-(3-thienylmethyl)piperidine (2S,4S)-4-methyl-2-(3-thienylmet…

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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) 2.63 6.28 -34.73 2 1 1 17 196.339 2 ↓

Analogs

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Popular Name: (2R,4R)-4-methyl-2-(3-thienylmethyl)piperidine (2R,4R)-4-methyl-2-(3-thienylmet…

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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) 2.63 6.32 -35.1 2 1 1 17 196.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methyl-2-(3-thienylmethyl)piperidine (2R,4S)-4-methyl-2-(3-thienylmet…

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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) 2.63 6.54 -35.32 2 1 1 17 196.339 2 ↓

Analogs

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Popular Name: (2S,4R)-4-ethyl-2-(3-thienylmethyl)piperidine (2S,4R)-4-ethyl-2-(3-thienylmeth…

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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) 3.31 7.16 -35.52 2 1 1 17 210.366 3 ↓

Analogs

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Popular Name: (2S,4S)-4-ethyl-2-(3-thienylmethyl)piperidine (2S,4S)-4-ethyl-2-(3-thienylmeth…

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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) 3.31 6.71 -35.8 2 1 1 17 210.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-(3-thienylmethyl)piperidine (2R,4R)-4-ethyl-2-(3-thienylmeth…

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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) 3.31 6.94 -35.78 2 1 1 17 210.366 3 ↓

Analogs

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Popular Name: (2R,4S)-4-ethyl-2-(3-thienylmethyl)piperidine (2R,4S)-4-ethyl-2-(3-thienylmeth…

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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) 3.31 7.2 -35.84 2 1 1 17 210.366 3 ↓

Parameters Provided:

ring.id = 269698
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 = 269698 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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