UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48686517
48686517
49220535
49220535
49220540
49220540
49220543
49220543
49220547
49220547

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Popular Name: 6-(cyclopentylmethylcarbamoyl)pyridine-2-carboxylic 6-(cyclopentylmethylcarbamoyl)py…

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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 5.14 -46.06 1 5 -1 82 247.274 4 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-6-hydrazino-pyridine-2-carboxamide N-[(1S)-1-cyclopentylethyl]-6-hy…

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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 4.17 -8.66 4 5 0 80 248.33 4 ↓
Lo Low (pH 4.5-6) 1.66 4.55 -32.56 5 5 1 81 249.338 4 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-6-hydrazino-pyridine-2-carboxamide N-[(1R)-1-cyclopentylethyl]-6-hy…

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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 3.94 -8.59 4 5 0 80 248.33 4 ↓
Lo Low (pH 4.5-6) 1.66 4.32 -32.78 5 5 1 81 249.338 4 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-4-hydrazino-pyridine-2-carboxamide N-[(1S)-1-cyclopentylethyl]-4-hy…

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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) 1.65 3.19 -7.77 4 5 0 80 248.33 4 ↓
Mid Mid (pH 6-8) 1.65 3.67 -34.38 5 5 1 81 249.338 4 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-4-hydrazino-pyridine-2-carboxamide N-[(1R)-1-cyclopentylethyl]-4-hy…

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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) 1.65 2.96 -7.78 4 5 0 80 248.33 4 ↓
Mid Mid (pH 6-8) 1.65 3.45 -34.63 5 5 1 81 249.338 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(1S)-1-cyclopentylethyl]pyridine-2-carboxamide 5-(aminomethyl)-N-[(1S)-1-cyclop…

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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) 1.26 3.52 -55.73 4 4 1 70 248.35 4 ↓
Mid Mid (pH 6-8) 1.26 3.12 -7.07 3 4 0 68 247.342 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(1R)-1-cyclopentylethyl]pyridine-2-carboxamide 5-(aminomethyl)-N-[(1R)-1-cyclop…

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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) 1.26 3.3 -55.87 4 4 1 70 248.35 4 ↓
Mid Mid (pH 6-8) 1.26 2.9 -7.06 3 4 0 68 247.342 4 ↓

Analogs

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Popular Name: 2-[[(1S)-1-cyclopentylethyl]carbamoyl]pyridine-3-carboxylic 2-[[(1S)-1-cyclopentylethyl]carb…

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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) 1.98 6.5 -58.19 1 5 -1 82 261.301 4 ↓

Analogs

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Popular Name: 2-[[(1R)-1-cyclopentylethyl]carbamoyl]pyridine-3-carboxylic 2-[[(1R)-1-cyclopentylethyl]carb…

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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) 1.98 6.27 -58.01 1 5 -1 82 261.301 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-cyclopentylethyl]pyridine-2-carboxamide 6-chloro-N-[(1S)-1-cyclopentylet…

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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) 3.09 5.94 -6.24 1 3 0 42 252.745 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-cyclopentylethyl]pyridine-2-carboxamide 6-chloro-N-[(1R)-1-cyclopentylet…

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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) 3.09 5.71 -6.2 1 3 0 42 252.745 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-1-cyclopentylethyl]pyridine-2-carboxamide 4-chloro-N-[(1S)-1-cyclopentylet…

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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) 3.09 6.01 -6.71 1 3 0 42 252.745 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-cyclopentylethyl]pyridine-2-carboxamide 4-chloro-N-[(1R)-1-cyclopentylet…

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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) 3.09 5.79 -6.72 1 3 0 42 252.745 3 ↓

Analogs

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Popular Name: 3,6-dichloro-N-[(1S)-1-cyclopentylethyl]pyridine-2-carboxamide 3,6-dichloro-N-[(1S)-1-cyclopent…

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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) 4.11 6.43 -6.04 1 3 0 42 287.19 3 ↓

Analogs

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Popular Name: 3,6-dichloro-N-[(1R)-1-cyclopentylethyl]pyridine-2-carboxamide 3,6-dichloro-N-[(1R)-1-cyclopent…

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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) 4.11 6.21 -6.01 1 3 0 42 287.19 3 ↓

Analogs

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Popular Name: 5-cyano-N-[(1S)-1-cyclopentylethyl]pyridine-2-carboxamide 5-cyano-N-[(1S)-1-cyclopentyleth…

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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) 1.83 5.91 -7.34 1 4 0 66 243.31 3 ↓

Analogs

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Popular Name: 5-cyano-N-[(1R)-1-cyclopentylethyl]pyridine-2-carboxamide 5-cyano-N-[(1R)-1-cyclopentyleth…

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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) 1.83 5.69 -7.36 1 4 0 66 243.31 3 ↓

Analogs

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Popular Name: 5-carbamothioyl-N-[(1S)-1-cyclopentylethyl]pyridine-2-carboxamide 5-carbamothioyl-N-[(1S)-1-cyclop…

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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) 1.88 4.74 -14.31 3 4 0 68 277.393 4 ↓

Analogs

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Popular Name: 5-carbamothioyl-N-[(1R)-1-cyclopentylethyl]pyridine-2-carboxamide 5-carbamothioyl-N-[(1R)-1-cyclop…

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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) 1.88 4.52 -14.27 3 4 0 68 277.393 4 ↓

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-cyclopentylethyl]pyridine-2-carboxamide 5-bromo-N-[(1S)-1-cyclopentyleth…

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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) 3.05 6.11 -4.94 1 3 0 42 297.196 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-cyclopentylethyl]pyridine-2-carboxamide 5-bromo-N-[(1R)-1-cyclopentyleth…

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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) 3.05 5.89 -4.9 1 3 0 42 297.196 3 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-3-hydroxy-pyridine-2-carboxamide N-[(1S)-1-cyclopentylethyl]-3-hy…

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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) 2.19 5.52 -40.11 2 4 0 66 234.299 3 ↓
Hi High (pH 8-9.5) 2.19 5.06 -52.17 1 4 -1 65 233.291 3 ↓
Mid Mid (pH 6-8) 2.19 4.05 -9.27 2 4 0 62 234.299 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-3-hydroxy-pyridine-2-carboxamide N-[(1R)-1-cyclopentylethyl]-3-hy…

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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) 2.19 5.3 -40.26 2 4 0 66 234.299 3 ↓
Hi High (pH 8-9.5) 2.19 4.83 -51.96 1 4 -1 65 233.291 3 ↓
Mid Mid (pH 6-8) 2.19 3.83 -9.34 2 4 0 62 234.299 3 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide N-[(1S)-1-cyclopentylethyl]-5-[(…

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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) 0.39 2.37 -8.76 4 6 0 101 276.34 4 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide N-[(1R)-1-cyclopentylethyl]-5-[(…

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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) 0.39 2.15 -8.72 4 6 0 101 276.34 4 ↓

Analogs

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Popular Name: 6-[[(1S)-1-cyclopentylethyl]carbamoyl]-2-methyl-pyridine-3-carboxylic 6-[[(1S)-1-cyclopentylethyl]carb…

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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) 2.04 6.61 -43.01 1 5 -1 82 275.328 4 ↓
Lo Low (pH 4.5-6) 2.04 7.04 -36.49 2 5 0 83 276.336 4 ↓

Analogs

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Popular Name: 6-[[(1R)-1-cyclopentylethyl]carbamoyl]-2-methyl-pyridine-3-carboxylic 6-[[(1R)-1-cyclopentylethyl]carb…

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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) 2.04 6.47 -42.71 1 5 -1 82 275.328 4 ↓
Lo Low (pH 4.5-6) 2.04 6.91 -36.31 2 5 0 83 276.336 4 ↓

Analogs

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Popular Name: 6-[[(1S)-1-cyclopentylethyl]carbamoyl]pyridine-2-carboxylic 6-[[(1S)-1-cyclopentylethyl]carb…

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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) 1.72 6.07 -46.6 1 5 -1 82 261.301 4 ↓

Analogs

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Popular Name: 6-[[(1R)-1-cyclopentylethyl]carbamoyl]pyridine-2-carboxylic 6-[[(1R)-1-cyclopentylethyl]carb…

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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) 1.72 5.84 -46.52 1 5 -1 82 261.301 4 ↓

Analogs

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Popular Name: 6-[[(1S)-1-cyclopentylethyl]carbamoyl]pyridine-3-carboxylic 6-[[(1S)-1-cyclopentylethyl]carb…

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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) 1.65 6.07 -41.65 1 5 -1 82 261.301 4 ↓

Analogs

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Popular Name: 6-[[(1R)-1-cyclopentylethyl]carbamoyl]pyridine-3-carboxylic 6-[[(1R)-1-cyclopentylethyl]carb…

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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) 1.65 5.85 -41.56 1 5 -1 82 261.301 4 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide N-[(1S)-1-cyclopentylethyl]-5-(4…

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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 5.08 -7.49 2 4 0 62 286.375 4 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide N-[(1R)-1-cyclopentylethyl]-5-(4…

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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 4.86 -7.49 2 4 0 62 286.375 4 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide N-[(1S)-1-cyclopentylethyl]-5-(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) 1.65 4.31 -9.22 2 4 0 62 272.348 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide N-[(1R)-1-cyclopentylethyl]-5-(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) 1.65 4.09 -9.1 2 4 0 62 272.348 3 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1S)-1-cyclopentylethyl]pyridine-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1S)-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) 1.08 5.02 -53.84 4 4 1 70 272.372 3 ↓
Mid Mid (pH 6-8) 1.08 4.61 -6.98 3 4 0 68 271.364 3 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1R)-1-cyclopentylethyl]pyridine-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1R)-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) 1.08 4.8 -53.79 4 4 1 70 272.372 3 ↓
Mid Mid (pH 6-8) 1.08 4.39 -7.01 3 4 0 68 271.364 3 ↓

Analogs

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Popular Name: (E)-3-[6-[[(1S)-1-cyclopentylethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[6-[[(1S)-1-cyclopentyleth…

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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) 1.87 7.36 -45.99 1 5 -1 82 287.339 5 ↓

Analogs

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Popular Name: (E)-3-[6-[[(1R)-1-cyclopentylethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[6-[[(1R)-1-cyclopentyleth…

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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) 1.87 7.14 -45.91 1 5 -1 82 287.339 5 ↓

Analogs

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Popular Name: 6-amino-N-[(1S)-1-cyclopentylethyl]pyridine-2-carboxamide 6-amino-N-[(1S)-1-cyclopentyleth…

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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 4.26 -7.77 3 4 0 68 233.315 3 ↓
Lo Low (pH 4.5-6) 1.90 4.75 -33.89 4 4 1 69 234.323 3 ↓

Analogs

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Popular Name: 6-amino-N-[(1R)-1-cyclopentylethyl]pyridine-2-carboxamide 6-amino-N-[(1R)-1-cyclopentyleth…

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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 4.03 -7.75 3 4 0 68 233.315 3 ↓
Lo Low (pH 4.5-6) 1.90 4.53 -34.14 4 4 1 69 234.323 3 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-4-(methylamino)pyridine-2-carboxamide N-[(1S)-1-cyclopentylethyl]-4-(m…

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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) 2.27 4.8 -34.26 3 4 1 55 248.35 4 ↓
Hi High (pH 8-9.5) 2.27 4.32 -7.68 2 4 0 54 247.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]-4-(methylamino)pyridine-2-carboxamide N-[(1R)-1-cyclopentylethyl]-4-(m…

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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) 2.27 4.58 -34.44 3 4 1 55 248.35 4 ↓
Hi High (pH 8-9.5) 2.27 4.1 -7.66 2 4 0 54 247.342 4 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-4-(propylamino)pyridine-2-carboxamide N-[(1S)-1-cyclopentylethyl]-4-(p…

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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) 3.15 6.38 -34.41 3 4 1 55 276.404 6 ↓
Hi High (pH 8-9.5) 3.15 5.9 -7.07 2 4 0 54 275.396 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]-4-(propylamino)pyridine-2-carboxamide N-[(1R)-1-cyclopentylethyl]-4-(p…

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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) 3.15 6.16 -34.59 3 4 1 55 276.404 6 ↓
Hi High (pH 8-9.5) 3.15 5.68 -7.02 2 4 0 54 275.396 6 ↓

Analogs

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Popular Name: 3-chloro-N-[(1S)-1-cyclopentylethyl]-6-(propylamino)pyridine-2-carboxamide 3-chloro-N-[(1S)-1-cyclopentylet…

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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) 4.17 7.23 -7.09 2 4 0 54 309.841 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(1R)-1-cyclopentylethyl]-6-(propylamino)pyridine-2-carboxamide 3-chloro-N-[(1R)-1-cyclopentylet…

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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) 4.17 7.02 -7.01 2 4 0 54 309.841 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentylethyl]-6-(methylamino)pyridine-2-carboxamide N-[(1S)-1-cyclopentylethyl]-6-(m…

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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) 2.27 5.17 -7.49 2 4 0 54 247.342 4 ↓
Lo Low (pH 4.5-6) 2.27 5.66 -31.84 3 4 1 55 248.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]-6-(methylamino)pyridine-2-carboxamide N-[(1R)-1-cyclopentylethyl]-6-(m…

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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) 2.27 4.94 -7.51 2 4 0 54 247.342 4 ↓
Lo Low (pH 4.5-6) 2.27 5.44 -32.02 3 4 1 55 248.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(1S)-1-cyclopentylethyl]-6-(methylamino)pyridine-2-carboxamide 3-chloro-N-[(1S)-1-cyclopentylet…

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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) 3.29 5.68 -7.91 2 4 0 54 281.787 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 111884 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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