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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1H-indol-6-yl-[(3R)-3-(trifluoromethyl)-1-piperidyl]methanone 1H-indol-6-yl-[(3R)-3-(trifluoro…

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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) 2.80 7.33 -9.77 1 3 0 36 296.292 2 ↓

Analogs

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Popular Name: 1H-indol-6-yl-[(3S)-3-(trifluoromethyl)-1-piperidyl]methanone 1H-indol-6-yl-[(3S)-3-(trifluoro…

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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) 2.80 7.31 -11.08 1 3 0 36 296.292 2 ↓

Analogs

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Popular Name: N-[(3R)-1-(1H-indole-6-carbonyl)-3-piperidyl]methanesulfonamide N-[(3R)-1-(1H-indole-6-carbonyl)…

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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) 0.65 2.39 -22.02 2 6 0 82 321.402 3 ↓

Analogs

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Popular Name: N-[(3S)-1-(1H-indole-6-carbonyl)-3-piperidyl]methanesulfonamide N-[(3S)-1-(1H-indole-6-carbonyl)…

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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) 0.65 2.37 -17.3 2 6 0 82 321.402 3 ↓

Analogs

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Popular Name: N-[[(3R)-1-(1H-indole-6-carbonyl)-3-piperidyl]methyl]methanesulfonamide N-[[(3R)-1-(1H-indole-6-carbonyl…

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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) 1.04 3.19 -21.34 2 6 0 82 335.429 4 ↓

Analogs

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Popular Name: N-[[(3S)-1-(1H-indole-6-carbonyl)-3-piperidyl]methyl]methanesulfonamide N-[[(3S)-1-(1H-indole-6-carbonyl…

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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) 1.04 3.2 -20.73 2 6 0 82 335.429 4 ↓

Analogs

37841962
37841962

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Popular Name: 2-[1-(1H-indole-6-carbonyl)-4-piperidyl]acetamide 2-[1-(1H-indole-6-carbonyl)-4-pi…

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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) 1.06 3.82 -14.31 3 5 0 79 285.347 3 ↓

Analogs

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Popular Name: [4-(diethylaminomethyl)-1-piperidyl]-(1H-indol-6-yl)methanone [4-(diethylaminomethyl)-1-piperi…

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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) 2.66 9.42 -44.87 2 4 1 41 314.453 5 ↓

Analogs

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Popular Name: [4-(dimethylamino)-1-piperidyl]-(1H-indol-6-yl)methanone [4-(dimethylamino)-1-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) 1.52 7.45 -45.64 2 4 1 41 272.372 2 ↓

Analogs

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Popular Name: 2-[(2R)-1-(1H-indole-6-carbonyl)-2-piperidyl]acetamide 2-[(2R)-1-(1H-indole-6-carbonyl)…

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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) 2.22 4.69 -13.12 3 5 0 79 285.347 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-(1H-indole-6-carbonyl)-2-piperidyl]acetamide 2-[(2S)-1-(1H-indole-6-carbonyl)…

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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) 2.22 4.65 -12.81 3 5 0 79 285.347 3 ↓

Analogs

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Popular Name: 1H-indol-6-yl-[4-(methoxymethyl)-1-piperidyl]methanone 1H-indol-6-yl-[4-(methoxymethyl)…

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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) 1.86 6.14 -11.51 1 4 0 45 272.348 3 ↓

Analogs

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Popular Name: 1H-indol-6-yl-[(3R)-3-propoxy-1-piperidyl]methanone 1H-indol-6-yl-[(3R)-3-propoxy-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) 2.36 7.17 -10.75 1 4 0 45 286.375 4 ↓

Analogs

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Popular Name: 1H-indol-6-yl-[(3S)-3-propoxy-1-piperidyl]methanone 1H-indol-6-yl-[(3S)-3-propoxy-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) 2.36 7.18 -9.49 1 4 0 45 286.375 4 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(1H-indol-6-yl)methanone [4-(2-aminoethyl)-1-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) 1.13 5.05 -55.57 4 4 1 64 272.372 3 ↓

Analogs

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Popular Name: 1H-indol-6-yl-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone 1H-indol-6-yl-[4-[2-(methylamino…

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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) 2.11 6.92 -49.42 3 4 1 53 286.399 4 ↓

Analogs

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Popular Name: 1H-indol-6-yl-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone 1H-indol-6-yl-[(2S)-2-[2-(methyl…

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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) 2.05 6.83 -38.5 3 4 1 53 286.399 4 ↓

Analogs

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Popular Name: 1H-indol-6-yl-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone 1H-indol-6-yl-[(2R)-2-[2-(methyl…

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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) 2.05 6.81 -38.53 3 4 1 53 286.399 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 13007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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