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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-3-(3-thienylmethyl)piperidine-3-carboxylic (3R)-3-(3-thienylmethyl)piperidi…

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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) 0.86 5.59 -55.68 2 3 0 57 225.313 3 ↓
Hi High (pH 8-9.5) 0.86 4.4 -45.23 1 3 -1 52 224.305 3 ↓

Analogs

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Popular Name: (3S)-3-(3-thienylmethyl)piperidine-3-carboxylic (3S)-3-(3-thienylmethyl)piperidi…

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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) 0.86 5.84 -40.32 2 3 0 57 225.313 3 ↓
Hi High (pH 8-9.5) 0.86 4.4 -39.39 1 3 -1 52 224.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3-thienylmethyl)piperidine (3S)-3-(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) 1.91 5.57 -39.79 2 1 1 17 182.312 2 ↓

Analogs

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Popular Name: (3R)-3-(3-thienylmethyl)piperidine (3R)-3-(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) 1.91 5.63 -39.53 2 1 1 17 182.312 2 ↓

Analogs

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

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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) 2.52 3.52 -40.17 3 2 1 37 267.201 2 ↓

Analogs

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

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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) 2.52 3.89 -39.46 3 2 1 37 267.201 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.52 3.91 -39.35 3 2 1 37 267.201 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dichloro-3-thienyl)-[(3S)-3-piperidyl]methanol (S)-(2,5-dichloro-3-thienyl)-[(3…

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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) 2.52 3.52 -40.16 3 2 1 37 267.201 2 ↓

Analogs

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

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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) 2.79 3.7 -40.38 3 2 1 37 356.103 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.79 4.09 -39.59 3 2 1 37 356.103 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.79 4.12 -39.56 3 2 1 37 356.103 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dibromo-3-thienyl)-[(3S)-3-piperidyl]methanol (S)-(2,5-dibromo-3-thienyl)-[(3S…

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) 2.79 3.71 -40.37 3 2 1 37 356.103 2 ↓

Parameters Provided:

ring.id = 290751
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 = 290751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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