UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4213063
4213063

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Popular Name: Droxicainide Droxicainide

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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) 1.27 -1.14 -32.16 3 4 1 53 277.388 4 ↓

Analogs

6588
6588
154964
154964
897002
897002
1530812
1530812
1530814
1530814

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Popular Name: Mepivacaine hydrochloride Mepivacaine hydrochloride

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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 7.98 -35.55 2 3 1 34 247.362 2 ↓

Analogs

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Popular Name: (2S)-N-ethyl-N-(m-tolyl)piperidine-2-carboxamide (2S)-N-ethyl-N-(m-tolyl)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) 2.84 7.25 -38.47 2 3 1 37 247.362 3 ↓
Hi High (pH 8-9.5) 2.84 6.29 -8.9 1 3 0 32 246.354 3 ↓

Analogs

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Popular Name: (2R)-N-ethyl-N-(m-tolyl)piperidine-2-carboxamide (2R)-N-ethyl-N-(m-tolyl)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) 2.84 7.1 -39.19 2 3 1 37 247.362 3 ↓
Hi High (pH 8-9.5) 2.84 5.81 -7.91 1 3 0 32 246.354 3 ↓

Analogs

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Popular Name: (2S,6S)-N-ethyl-6-methyl-N-(m-tolyl)piperidine-2-carboxamide (2S,6S)-N-ethyl-6-methyl-N-(m-to…

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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) 3.17 7.95 -36.49 2 3 1 37 261.389 3 ↓
Hi High (pH 8-9.5) 3.17 7.03 -8.77 1 3 0 32 260.381 3 ↓

Analogs

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Popular Name: (2R,6S)-N-ethyl-6-methyl-N-(m-tolyl)piperidine-2-carboxamide (2R,6S)-N-ethyl-6-methyl-N-(m-to…

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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) 3.17 7.68 -41.17 2 3 1 37 261.389 3 ↓
Hi High (pH 8-9.5) 3.17 6.59 -6.73 1 3 0 32 260.381 3 ↓

Analogs

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Popular Name: (2S,6R)-N-ethyl-6-methyl-N-(m-tolyl)piperidine-2-carboxamide (2S,6R)-N-ethyl-6-methyl-N-(m-to…

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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) 3.17 7.82 -40.42 2 3 1 37 261.389 3 ↓
Hi High (pH 8-9.5) 3.17 6.62 -8.33 1 3 0 32 260.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-N-ethyl-6-methyl-N-(m-tolyl)piperidine-2-carboxamide (2R,6R)-N-ethyl-6-methyl-N-(m-to…

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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) 3.17 7.8 -37.2 2 3 1 37 261.389 3 ↓
Hi High (pH 8-9.5) 3.17 6.56 -7.83 1 3 0 32 260.381 3 ↓

Analogs

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Popular Name: (2S)-N-ethyl-N-phenyl-piperidine-2-carboxamide (2S)-N-ethyl-N-phenyl-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) 2.42 6.43 -40.19 2 3 1 37 233.335 3 ↓
Hi High (pH 8-9.5) 2.42 5.13 -8.77 1 3 0 32 232.327 3 ↓

Analogs

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Popular Name: (2R)-N-ethyl-N-phenyl-piperidine-2-carboxamide (2R)-N-ethyl-N-phenyl-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) 2.42 6.82 -38.42 2 3 1 37 233.335 3 ↓
Hi High (pH 8-9.5) 2.42 5.48 -8.24 1 3 0 32 232.327 3 ↓

Analogs

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Popular Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)piperidine-2-carboxamide (2S)-N-(2-isopropyl-6-methyl-phe…

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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) 2.25 7.45 -41.12 3 3 1 46 261.389 3 ↓
Hi High (pH 8-9.5) 2.25 6.16 -8.84 2 3 0 41 260.381 3 ↓

Analogs

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Popular Name: (2R)-N-(2-isopropyl-6-methyl-phenyl)piperidine-2-carboxamide (2R)-N-(2-isopropyl-6-methyl-phe…

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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) 2.25 7.25 -41.92 3 3 1 46 261.389 3 ↓
Hi High (pH 8-9.5) 2.25 5.91 -7.41 2 3 0 41 260.381 3 ↓

Analogs

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Popular Name: (2S)-N-(2-ethyl-6-methyl-phenyl)piperidine-2-carboxamide (2S)-N-(2-ethyl-6-methyl-phenyl)…

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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 6.75 -41.25 3 3 1 46 247.362 3 ↓
Hi High (pH 8-9.5) 2.13 5.46 -8.66 2 3 0 41 246.354 3 ↓

Analogs

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Popular Name: (2R)-N-(2-ethyl-6-methyl-phenyl)piperidine-2-carboxamide (2R)-N-(2-ethyl-6-methyl-phenyl)…

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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 6.75 -41.46 3 3 1 46 247.362 3 ↓
Hi High (pH 8-9.5) 2.13 5.4 -7.72 2 3 0 41 246.354 3 ↓

Analogs

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Popular Name: 2-piperidinecarboxamide, 6-methyl-N-(4-methylphenyl)- 2-piperidinecarboxamide, 6-methy…

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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) 2.58 5.59 -43.1 3 3 1 46 233.335 2 ↓
Hi High (pH 8-9.5) 2.58 4.34 -10.82 2 3 0 41 232.327 2 ↓

Analogs

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Popular Name: 2-piperidinecarboxamide, 6-methyl-N-(4-methylphenyl)- 2-piperidinecarboxamide, 6-methy…

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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) 2.58 5.79 -39 3 3 1 46 233.335 2 ↓
Hi High (pH 8-9.5) 2.58 4.55 -9.9 2 3 0 41 232.327 2 ↓

Analogs

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Popular Name: 2-piperidinecarboxamide, 6-methyl-N-(4-methylphenyl)- 2-piperidinecarboxamide, 6-methy…

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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) 2.58 5.81 -38.94 3 3 1 46 233.335 2 ↓
Hi High (pH 8-9.5) 2.58 4.54 -8.86 2 3 0 41 232.327 2 ↓

Analogs

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Popular Name: 2-piperidinecarboxamide, 6-methyl-N-(4-methylphenyl)- 2-piperidinecarboxamide, 6-methy…

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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) 2.58 5.62 -43.33 3 3 1 46 233.335 2 ↓
Hi High (pH 8-9.5) 2.58 4.36 -8.55 2 3 0 41 232.327 2 ↓

Analogs

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Popular Name: (2S,6R)-N-(5-fluoro-2-methyl-phenyl)-6-methyl-piperidine-2-carboxamide (2S,6R)-N-(5-fluoro-2-methyl-phe…

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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 5.81 -46.84 3 3 1 46 251.325 2 ↓
Hi High (pH 8-9.5) 2.67 4.57 -13.27 2 3 0 41 250.317 2 ↓

Analogs

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Popular Name: (2S,6S)-N-(5-fluoro-2-methyl-phenyl)-6-methyl-piperidine-2-carboxamide (2S,6S)-N-(5-fluoro-2-methyl-phe…

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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 6.02 -42.78 3 3 1 46 251.325 2 ↓
Hi High (pH 8-9.5) 2.67 4.78 -12.44 2 3 0 41 250.317 2 ↓

Analogs

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Popular Name: (2R,6R)-N-(5-fluoro-2-methyl-phenyl)-6-methyl-piperidine-2-carboxamide (2R,6R)-N-(5-fluoro-2-methyl-phe…

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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 6.02 -42.27 3 3 1 46 251.325 2 ↓
Hi High (pH 8-9.5) 2.67 4.74 -11.39 2 3 0 41 250.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-N-(5-fluoro-2-methyl-phenyl)-6-methyl-piperidine-2-carboxamide (2R,6S)-N-(5-fluoro-2-methyl-phe…

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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 5.83 -47.01 3 3 1 46 251.325 2 ↓
Hi High (pH 8-9.5) 2.67 4.57 -11.01 2 3 0 41 250.317 2 ↓

Analogs

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Popular Name: (2S,6R)-6-methyl-N-(3-sulfamoylphenyl)piperidine-2-carboxamide (2S,6R)-6-methyl-N-(3-sulfamoylp…

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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) 0.80 -0.21 -54.62 5 6 1 106 298.388 3 ↓
Hi High (pH 8-9.5) 0.80 -1.47 -21.37 4 6 0 101 297.38 3 ↓

Analogs

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Popular Name: (2S,6S)-6-methyl-N-(3-sulfamoylphenyl)piperidine-2-carboxamide (2S,6S)-6-methyl-N-(3-sulfamoylp…

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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) 0.80 -0.03 -48.48 5 6 1 106 298.388 3 ↓
Hi High (pH 8-9.5) 0.80 -1.29 -16.87 4 6 0 101 297.38 3 ↓

Analogs

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Popular Name: (2R,6R)-6-methyl-N-(3-sulfamoylphenyl)piperidine-2-carboxamide (2R,6R)-6-methyl-N-(3-sulfamoylp…

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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) 0.80 -0.04 -50.56 5 6 1 106 298.388 3 ↓
Hi High (pH 8-9.5) 0.80 -1.26 -18.54 4 6 0 101 297.38 3 ↓

Analogs

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Popular Name: (2R,6S)-6-methyl-N-(3-sulfamoylphenyl)piperidine-2-carboxamide (2R,6S)-6-methyl-N-(3-sulfamoylp…

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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) 0.80 -0.2 -56.36 5 6 1 106 298.388 3 ↓
Hi High (pH 8-9.5) 0.80 -1.44 -22.54 4 6 0 101 297.38 3 ↓

Analogs

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Popular Name: (2S,6R)-6-methyl-N-(o-tolyl)piperidine-2-carboxamide (2S,6R)-6-methyl-N-(o-tolyl)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) 2.53 5.75 -43.46 3 3 1 46 233.335 2 ↓
Hi High (pH 8-9.5) 2.53 4.52 -10.63 2 3 0 41 232.327 2 ↓

Analogs

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Popular Name: (2S,6S)-6-methyl-N-(o-tolyl)piperidine-2-carboxamide (2S,6S)-6-methyl-N-(o-tolyl)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) 2.53 5.96 -39.58 3 3 1 46 233.335 2 ↓
Hi High (pH 8-9.5) 2.53 4.72 -9.89 2 3 0 41 232.327 2 ↓

Analogs

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Popular Name: (2R,6R)-6-methyl-N-(o-tolyl)piperidine-2-carboxamide (2R,6R)-6-methyl-N-(o-tolyl)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) 2.53 5.96 -39.47 3 3 1 46 233.335 2 ↓
Hi High (pH 8-9.5) 2.53 4.68 -8.96 2 3 0 41 232.327 2 ↓

Analogs

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Popular Name: (2R,6S)-6-methyl-N-(o-tolyl)piperidine-2-carboxamide (2R,6S)-6-methyl-N-(o-tolyl)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) 2.53 5.77 -43.96 3 3 1 46 233.335 2 ↓
Hi High (pH 8-9.5) 2.53 4.51 -8.54 2 3 0 41 232.327 2 ↓

Analogs

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Popular Name: (2S,6R)-N-(4-fluoro-2-methyl-phenyl)-6-methyl-piperidine-2-carboxamide (2S,6R)-N-(4-fluoro-2-methyl-phe…

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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 5.83 -46.61 3 3 1 46 251.325 2 ↓
Hi High (pH 8-9.5) 2.67 4.59 -10.93 2 3 0 41 250.317 2 ↓

Analogs

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Popular Name: (2S,6S)-N-(4-fluoro-2-methyl-phenyl)-6-methyl-piperidine-2-carboxamide (2S,6S)-N-(4-fluoro-2-methyl-phe…

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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 6.02 -43.02 3 3 1 46 251.325 2 ↓
Hi High (pH 8-9.5) 2.67 4.78 -10.13 2 3 0 41 250.317 2 ↓

Analogs

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Popular Name: (2R,6R)-N-(4-fluoro-2-methyl-phenyl)-6-methyl-piperidine-2-carboxamide (2R,6R)-N-(4-fluoro-2-methyl-phe…

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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 6.03 -42.8 3 3 1 46 251.325 2 ↓
Hi High (pH 8-9.5) 2.67 4.75 -9.21 2 3 0 41 250.317 2 ↓

Analogs

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Popular Name: (2R,6S)-N-(4-fluoro-2-methyl-phenyl)-6-methyl-piperidine-2-carboxamide (2R,6S)-N-(4-fluoro-2-methyl-phe…

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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 5.74 -47.15 3 3 1 46 251.325 2 ↓
Hi High (pH 8-9.5) 2.67 4.49 -8.88 2 3 0 41 250.317 2 ↓

Analogs

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Popular Name: (2S,6R)-N-(2,5-difluorophenyl)-6-methyl-piperidine-2-carboxamide (2S,6R)-N-(2,5-difluorophenyl)-6…

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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 5.12 -43.64 3 3 1 46 255.288 2 ↓
Hi High (pH 8-9.5) 2.38 3.87 -7.47 2 3 0 41 254.28 2 ↓

Analogs

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Popular Name: (2S,6S)-N-(2,5-difluorophenyl)-6-methyl-piperidine-2-carboxamide (2S,6S)-N-(2,5-difluorophenyl)-6…

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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 5.31 -38.79 3 3 1 46 255.288 2 ↓
Hi High (pH 8-9.5) 2.38 4.05 -7.8 2 3 0 41 254.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-N-(2,5-difluorophenyl)-6-methyl-piperidine-2-carboxamide (2R,6R)-N-(2,5-difluorophenyl)-6…

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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 5.3 -38.79 3 3 1 46 255.288 2 ↓
Hi High (pH 8-9.5) 2.38 4.08 -8.82 2 3 0 41 254.28 2 ↓

Analogs

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Popular Name: (2R,6S)-N-(2,5-difluorophenyl)-6-methyl-piperidine-2-carboxamide (2R,6S)-N-(2,5-difluorophenyl)-6…

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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 5.14 -43.88 3 3 1 46 255.288 2 ↓
Hi High (pH 8-9.5) 2.38 3.89 -9.56 2 3 0 41 254.28 2 ↓

Analogs

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Popular Name: (2S)-N-(4-chloro-2-methyl-phenyl)piperidine-2-carboxamide (2S)-N-(4-chloro-2-methyl-phenyl…

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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) 2.85 5.79 -43.76 3 3 1 46 253.753 2 ↓
Hi High (pH 8-9.5) 2.85 4.5 -9.71 2 3 0 41 252.745 2 ↓

Analogs

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Popular Name: (2R)-N-(4-chloro-2-methyl-phenyl)piperidine-2-carboxamide (2R)-N-(4-chloro-2-methyl-phenyl…

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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) 2.85 5.79 -43.6 3 3 1 46 253.753 2 ↓
Hi High (pH 8-9.5) 2.85 4.44 -8.65 2 3 0 41 252.745 2 ↓

Analogs

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Popular Name: methyl 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) 2.10 5.58 -36.19 3 5 1 72 263.317 4 ↓

Analogs

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Popular Name: methyl 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) 2.10 5.58 -35.62 3 5 1 72 263.317 4 ↓

Analogs

36158261
36158261

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Popular Name: (2S)-N-(2-cyano-3-fluoro-phenyl)piperidine-2-carboxamide (2S)-N-(2-cyano-3-fluoro-phenyl)…

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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) 1.62 5.09 -41.27 3 4 1 69 248.281 2 ↓

Analogs

36158258
36158258

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Popular Name: (2R)-N-(2-cyano-3-fluoro-phenyl)piperidine-2-carboxamide (2R)-N-(2-cyano-3-fluoro-phenyl)…

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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) 1.62 5.08 -41.89 3 4 1 69 248.281 2 ↓

Analogs

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Popular Name: (2S)-N-(4-dimethylaminophenyl)piperidine-2-carboxamide (2S)-N-(4-dimethylaminophenyl)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) 1.90 4.98 -38.32 3 4 1 49 248.35 3 ↓

Analogs

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Popular Name: (2R)-N-(4-dimethylaminophenyl)piperidine-2-carboxamide (2R)-N-(4-dimethylaminophenyl)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) 1.90 5 -38.4 3 4 1 49 248.35 3 ↓

Analogs

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Popular Name: (2R,6R)-N-(4-dimethylaminophenyl)-6-methyl-piperidine-2-carboxamide (2R,6R)-N-(4-dimethylaminophenyl…

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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) 2.23 5.72 -36.46 3 4 1 49 262.377 3 ↓

Analogs

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Popular Name: (2R,6S)-N-(4-dimethylaminophenyl)-6-methyl-piperidine-2-carboxamide (2R,6S)-N-(4-dimethylaminophenyl…

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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) 2.23 5.42 -39.72 3 4 1 49 262.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-N-(4-dimethylaminophenyl)-6-methyl-piperidine-2-carboxamide (2S,6R)-N-(4-dimethylaminophenyl…

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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) 2.23 5.39 -39.58 3 4 1 49 262.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-(4-dimethylaminophenyl)-6-methyl-piperidine-2-carboxamide (2S,6S)-N-(4-dimethylaminophenyl…

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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) 2.23 5.72 -36.64 3 4 1 49 262.377 3 ↓

Parameters Provided:

ring.id = 191
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 = 191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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