UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidine-3-carboxamide (3R)-N-[(1S)-2-(4-fluorophenyl)-…

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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) 1.92 6.27 -44.85 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidine-3-carboxamide (3R)-N-[(1R)-2-(4-fluorophenyl)-…

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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) 1.92 6.27 -44.5 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidine-3-carboxamide (3S)-N-[(1S)-2-(4-fluorophenyl)-…

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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) 1.92 6.27 -44.56 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidine-3-carboxamide (3S)-N-[(1R)-2-(4-fluorophenyl)-…

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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) 1.92 6.27 -44.82 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3S,6R)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-N-[(1S)-2-(4-fluoropheny…

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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) 2.60 6.99 -43.75 3 3 1 46 279.379 4 ↓

Analogs

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Popular Name: (3S,6S)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-N-[(1S)-2-(4-fluoropheny…

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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) 2.60 7 -51.58 3 3 1 46 279.379 4 ↓

Analogs

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Popular Name: (3R,6R)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-N-[(1S)-2-(4-fluoropheny…

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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) 2.60 7 -52.24 3 3 1 46 279.379 4 ↓

Analogs

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Popular Name: (3R,6S)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-N-[(1S)-2-(4-fluoropheny…

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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) 2.60 6.99 -47.49 3 3 1 46 279.379 4 ↓

Analogs

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Popular Name: (3R,6R)-N-[2-(4-fluorophenyl)ethyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-N-[2-(4-fluorophenyl)eth…

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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) 2.28 5.94 -57.3 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3R,6S)-N-[2-(4-fluorophenyl)ethyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-N-[2-(4-fluorophenyl)eth…

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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) 2.28 5.93 -51.12 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3S,6R)-N-[2-(4-fluorophenyl)ethyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-N-[2-(4-fluorophenyl)eth…

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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) 2.28 5.93 -51.1 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3S,6S)-N-[2-(4-fluorophenyl)ethyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-N-[2-(4-fluorophenyl)eth…

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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) 2.28 5.94 -57.29 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3S)-1-acetyl-N-[2-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide (3S)-1-acetyl-N-[2-(2,5-dimethox…

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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) 1.43 5.09 -14.44 1 6 0 68 334.416 6 ↓

Analogs

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Popular Name: (3R)-1-acetyl-N-[2-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide (3R)-1-acetyl-N-[2-(2,5-dimethox…

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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) 1.43 5.08 -14.47 1 6 0 68 334.416 6 ↓

Analogs

25464510
25464510

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Popular Name: tert-butyl tert-butyl

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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) 3.06 8.28 -10.48 1 5 0 59 332.444 6 ↓

Analogs

25464505
25464505

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Popular Name: tert-butyl tert-butyl

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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) 3.06 8.28 -10.45 1 5 0 59 332.444 6 ↓

Analogs

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Popular Name: (3R)-1-acetyl-N-[2-methyl-2-(m-tolyl)propyl]piperidine-3-carboxamide (3R)-1-acetyl-N-[2-methyl-2-(m-t…

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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) 2.78 8.14 -11.25 1 4 0 49 316.445 4 ↓

Analogs

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Popular Name: (3S)-1-acetyl-N-[2-methyl-2-(m-tolyl)propyl]piperidine-3-carboxamide (3S)-1-acetyl-N-[2-methyl-2-(m-t…

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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) 2.78 8.19 -11.24 1 4 0 49 316.445 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(3,5-difluorophenyl)ethyl]-1-methylsulfonyl-piperidine-3-carboxamide (3S)-N-[2-(3,5-difluorophenyl)et…

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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) 1.66 4.16 -20.23 1 5 0 66 346.399 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(3,5-difluorophenyl)ethyl]-1-methylsulfonyl-piperidine-3-carboxamide (3R)-N-[2-(3,5-difluorophenyl)et…

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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) 1.66 4.2 -16.04 1 5 0 66 346.399 5 ↓

Analogs

39638977
39638977
39638978
39638978
39638979
39638979
39638980
39638980

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Popular Name: (3S)-N-[2-(2-fluorophenyl)-2-methyl-propyl]-1-propanoyl-piperidine-3-carboxamide (3S)-N-[2-(2-fluorophenyl)-2-met…

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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 8.22 -10.9 1 4 0 49 334.435 5 ↓

Analogs

39638977
39638977
39638978
39638978
39638979
39638979
39638980
39638980

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Popular Name: (3R)-N-[2-(2-fluorophenyl)-2-methyl-propyl]-1-propanoyl-piperidine-3-carboxamide (3R)-N-[2-(2-fluorophenyl)-2-met…

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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 8.23 -10.93 1 4 0 49 334.435 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.12 7.59 -10.9 1 6 0 68 362.47 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.12 7.6 -10.88 1 6 0 68 362.47 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.87 9.4 -41.15 2 6 1 63 376.521 7 ↓
Mid Mid (pH 6-8) 2.87 6.85 -7.96 1 6 0 62 375.513 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.87 9.41 -40.95 2 6 1 63 376.521 7 ↓
Mid Mid (pH 6-8) 2.87 6.86 -7.97 1 6 0 62 375.513 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.87 9.41 -41.33 2 6 1 63 376.521 7 ↓
Mid Mid (pH 6-8) 2.87 6.87 -7.95 1 6 0 62 375.513 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.87 9.42 -41.47 2 6 1 63 376.521 7 ↓
Mid Mid (pH 6-8) 2.87 6.88 -7.91 1 6 0 62 375.513 7 ↓

Analogs

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Popular Name: (3S)-1-acetyl-N-[2-(2-fluorophenyl)-2-methyl-propyl]piperidine-3-carboxamide (3S)-1-acetyl-N-[2-(2-fluorophen…

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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) 2.47 7.4 -11.16 1 4 0 49 320.408 4 ↓

Analogs

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Popular Name: (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methyl-propyl]piperidine-3-carboxamide (3R)-1-acetyl-N-[2-(2-fluorophen…

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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) 2.47 7.41 -13.15 1 4 0 49 320.408 4 ↓

Analogs

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Popular Name: (3S)-1-acetyl-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-3-carboxamide (3S)-1-acetyl-N-[2-(3,5-dichloro…

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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) 2.67 7.41 -11.93 1 4 0 49 343.254 4 ↓

Analogs

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Popular Name: (3R)-1-acetyl-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-3-carboxamide (3R)-1-acetyl-N-[2-(3,5-dichloro…

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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) 2.67 7.41 -15.43 1 4 0 49 343.254 4 ↓

Analogs

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Popular Name: (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(m-tolyl)ethyl]piperidine-3-carboxamide (3R)-1-(2,2-dimethylpropanoyl)-N…

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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) 3.47 8.55 -16.52 1 4 0 49 330.472 5 ↓

Analogs

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Popular Name: (3S)-1-(2,2-dimethylpropanoyl)-N-[2-(m-tolyl)ethyl]piperidine-3-carboxamide (3S)-1-(2,2-dimethylpropanoyl)-N…

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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) 3.47 8.49 -16.88 1 4 0 49 330.472 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[2-(4-fluoropheny…

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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) 2.50 6.35 -38.23 3 3 1 46 279.379 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[2-(4-fluoropheny…

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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) 2.50 6.4 -38.21 3 3 1 46 279.379 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-piperidine-3-carboxamide (3S)-N-[2-(4-fluorophenyl)ethyl]…

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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) 2.17 5.96 -37.2 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-piperidine-3-carboxamide (3R)-N-[2-(4-fluorophenyl)ethyl]…

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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) 2.17 5.96 -37.19 3 3 1 46 265.352 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-fluorophenyl)ethyl]-3-propyl-piperidine-3-carboxamide (3S)-N-[2-(4-fluorophenyl)ethyl]…

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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) 3.06 7.12 -38.6 3 3 1 46 293.406 6 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-fluorophenyl)ethyl]-3-propyl-piperidine-3-carboxamide (3R)-N-[2-(4-fluorophenyl)ethyl]…

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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) 3.06 7.16 -38.66 3 3 1 46 293.406 6 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[2-(4-methoxyphen…

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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) 2.40 5.58 -38.12 3 4 1 55 291.415 6 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[2-(4-methoxyphen…

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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) 2.40 5.63 -37.86 3 4 1 55 291.415 6 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-piperidine-3-carboxamide (3S)-N-[2-(4-methoxyphenyl)ethyl…

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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) 2.06 5.19 -37.04 3 4 1 55 277.388 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-piperidine-3-carboxamide (3R)-N-[2-(4-methoxyphenyl)ethyl…

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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) 2.06 5.19 -36.89 3 4 1 55 277.388 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-[2-(2-fluorophenyl)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[2-(2-fluoropheny…

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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) 2.46 6.33 -35.8 3 3 1 46 279.379 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-[2-(2-fluorophenyl)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[2-(2-fluoropheny…

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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) 2.46 6.38 -37.33 3 3 1 46 279.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2-fluorophenyl)ethyl]-3-methyl-piperidine-3-carboxamide (3S)-N-[2-(2-fluorophenyl)ethyl]…

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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) 2.12 5.94 -34.85 3 3 1 46 265.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(2-fluorophenyl)ethyl]-3-methyl-piperidine-3-carboxamide (3R)-N-[2-(2-fluorophenyl)ethyl]…

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) 2.12 5.94 -35.89 3 3 1 46 265.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2-fluorophenyl)ethyl]-3-propyl-piperidine-3-carboxamide (3S)-N-[2-(2-fluorophenyl)ethyl]…

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) 3.01 7.09 -36.09 3 3 1 46 293.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(2-fluorophenyl)ethyl]-3-propyl-piperidine-3-carboxamide (3R)-N-[2-(2-fluorophenyl)ethyl]…

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) 3.01 7.14 -37.73 3 3 1 46 293.406 6 ↓

Parameters Provided:

ring.id = 15278
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 = 15278 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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