UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 2.00 6.76 -17.2 1 5 0 68 308.403 7 ↓

Analogs

39262662
39262662
39262872
39262872

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Popular Name: N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-2-cyclopentylsulfanyl-pyridine-3-carboxamide N-[(1S)-2-amino-1-methyl-2-oxo-e…

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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) 1.80 3 -12.02 3 5 0 85 293.392 5 ↓

Analogs

39262662
39262662
39262872
39262872
39264168
39264168

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Popular Name: N-[(1R)-2-amino-1-methyl-2-oxo-ethyl]-2-cyclopentylsulfanyl-pyridine-3-carboxamide N-[(1R)-2-amino-1-methyl-2-oxo-e…

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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) 1.80 3 -12.02 3 5 0 85 293.392 5 ↓

Analogs

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Popular Name: 5-chloro-6-cyclopentylsulfanyl-pyridine-3-carboxylic 5-chloro-6-cyclopentylsulfanyl-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) 3.22 7.84 -40.89 0 3 -1 53 256.734 3 ↓

Analogs

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Popular Name: 3-chloro-6-cyclopentylsulfanyl-pyridine-2-carboxylic 3-chloro-6-cyclopentylsulfanyl-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) 3.69 7.78 -49.64 0 3 -1 53 256.734 3 ↓

Analogs

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Popular Name: 2-chloro-6-cyclopentylsulfanyl-pyridine-4-carboxylic 2-chloro-6-cyclopentylsulfanyl-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) 3.92 7.83 -40.82 0 3 -1 53 256.734 3 ↓

Analogs

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Popular Name: 6-cyclopentylsulfanylpyridine-2-carboxylic 6-cyclopentylsulfanylpyridine-2-…

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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) 2.68 7.43 -51.64 0 3 -1 53 222.289 3 ↓

Analogs

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Popular Name: 5-bromo-2-cyclopentylsulfanyl-pyridine-3-carboxylic 5-bromo-2-cyclopentylsulfanyl-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) 3.51 7.9 -43.69 0 3 -1 53 301.185 3 ↓

Analogs

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Popular Name: 5-bromo-2-cyclopentylsulfanyl-pyridin-3-amine 5-bromo-2-cyclopentylsulfanyl-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) 3.42 5.42 -3.05 2 2 0 39 273.199 2 ↓

Analogs

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Popular Name: 5-amino-2-cyclopentylsulfanyl-pyridine-3-carboxamide 5-amino-2-cyclopentylsulfanyl-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) 1.44 1.55 -11.54 4 4 0 82 237.328 3 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanylpyridin-4-amine 2-cyclopentylsulfanylpyridin-4-a…

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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 5.07 -26.52 3 2 1 40 195.311 2 ↓
Hi High (pH 8-9.5) 2.06 4.72 -4.69 2 2 0 39 194.303 2 ↓

Analogs

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Popular Name: 5-amino-2-cyclopentylsulfanyl-pyridine-3-carbonitrile 5-amino-2-cyclopentylsulfanyl-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) 2.37 5.03 -7.39 2 3 0 63 219.313 2 ↓

Analogs

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Popular Name: 6-cyclopentylsulfanyl-2-isopropoxy-pyridin-3-amine 6-cyclopentylsulfanyl-2-isopropo…

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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) 3.61 5.33 -4.36 2 3 0 48 252.383 4 ↓

Analogs

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Popular Name: 6-cyclopentylsulfanyl-2-ethoxy-pyridin-3-amine 6-cyclopentylsulfanyl-2-ethoxy-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) 3.25 4.45 -4.51 2 3 0 48 238.356 4 ↓

Analogs

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Popular Name: 2-tert-butoxy-6-cyclopentylsulfanyl-pyridin-3-amine 2-tert-butoxy-6-cyclopentylsulfa…

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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) 4.05 6.5 -4.18 2 3 0 48 266.41 4 ↓

Analogs

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Popular Name: 6-cyclopentylsulfanyl-2-propoxy-pyridin-3-amine 6-cyclopentylsulfanyl-2-propoxy-…

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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) 3.75 5.25 -4.4 2 3 0 48 252.383 5 ↓

Analogs

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Popular Name: 6-cyclopentylsulfanyl-2-methoxy-pyridin-3-amine 6-cyclopentylsulfanyl-2-methoxy-…

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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 3.44 -4.67 2 3 0 48 224.329 3 ↓

Analogs

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Popular Name: 6-cyclopentylsulfanyl-5-methyl-pyridin-3-amine 6-cyclopentylsulfanyl-5-methyl-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) 3.06 5.33 -4.88 2 2 0 39 208.33 2 ↓
Lo Low (pH 4.5-6) 3.06 5.66 -25.36 3 2 1 40 209.338 2 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-6-methyl-pyridine-3-carbonitrile 2-cyclopentylsulfanyl-6-methyl-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) 2.80 7.74 -7.09 0 2 0 37 218.325 2 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-N'-hydroxy-4,6-dimethyl-pyridine-3-carboxamidine 2-cyclopentylsulfanyl-N'-hydroxy…

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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) 2.12 4.02 -7.72 3 4 0 72 265.382 3 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-N'-hydroxy-6-methyl-pyridine-3-carboxamidine 2-cyclopentylsulfanyl-N'-hydroxy…

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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) 1.35 4.53 -8.42 3 4 0 72 251.355 3 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-N'-hydroxy-pyridine-3-carboxamidine 2-cyclopentylsulfanyl-N'-hydroxy…

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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) 1.30 3.23 -6.97 3 4 0 72 237.328 3 ↓

Analogs

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Popular Name: 6-cyclopentylsulfanyl-N'-hydroxy-pyridine-3-carboxamidine 6-cyclopentylsulfanyl-N'-hydroxy…

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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) 1.35 3.5 -6.54 3 4 0 72 237.328 3 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-N'-hydroxy-5-nitro-pyridine-3-carboxamidine 2-cyclopentylsulfanyl-N'-hydroxy…

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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) 1.41 3.96 -7.03 3 7 0 117 282.325 4 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanylpyridine-3-carboxamidine 2-cyclopentylsulfanylpyridine-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) 1.37 4.35 -30.87 4 3 1 65 222.337 3 ↓

Analogs

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Popular Name: 6-cyclopentylsulfanylpyridine-3-carboxamidine 6-cyclopentylsulfanylpyridine-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) 1.43 4.69 -35.36 4 3 1 65 222.337 3 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanylpyridine-4-carboxamidine 2-cyclopentylsulfanylpyridine-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) 1.37 4.63 -35.63 4 3 1 65 222.337 3 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-4,6-dimethyl-pyridine-3-carboxamidine 2-cyclopentylsulfanyl-4,6-dimeth…

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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 5.31 -29.6 4 3 1 65 250.391 3 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-6-methyl-pyridine-3-carboxamidine 2-cyclopentylsulfanyl-6-methyl-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) 1.43 4.91 -30.63 4 3 1 65 236.364 3 ↓

Analogs

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Popular Name: 6-chloro-2-cyclopentylsulfanyl-3-nitro-pyridine 6-chloro-2-cyclopentylsulfanyl-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) 3.97 7.83 -5.47 0 4 0 59 258.73 3 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-6-fluoro-pyridine 2-cyclopentylsulfanyl-6-fluoro-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) 3.54 6.83 -5 0 1 0 13 197.278 2 ↓

Analogs

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Popular Name: (2-cyclopentylsulfanyl-4-pyridyl)methanamine (2-cyclopentylsulfanyl-4-pyridyl…

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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 4.9 -48.43 3 2 1 41 209.338 3 ↓
Mid Mid (pH 6-8) 2.17 4.51 -3.81 2 2 0 39 208.33 3 ↓

Analogs

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Popular Name: (6-cyclopentylsulfanyl-3-pyridyl)methanamine (6-cyclopentylsulfanyl-3-pyridyl…

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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 4.85 -48.82 3 2 1 41 209.338 3 ↓
Hi High (pH 8-9.5) 2.22 4.45 -3.78 2 2 0 39 208.33 3 ↓

Analogs

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Popular Name: (2-cyclopentylsulfanyl-3-pyridyl)methanamine (2-cyclopentylsulfanyl-3-pyridyl…

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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 4.83 -42.2 3 2 1 41 209.338 3 ↓
Mid Mid (pH 6-8) 2.17 4.4 -4.79 2 2 0 39 208.33 3 ↓

Analogs

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Popular Name: (2-cyclopentylsulfanyl-4,6-dimethyl-3-pyridyl)methanamine (2-cyclopentylsulfanyl-4,6-dimet…

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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) 2.99 5.9 -42.28 3 2 1 41 237.392 3 ↓
Hi High (pH 8-9.5) 2.99 5.47 -4.14 2 2 0 39 236.384 3 ↓
Lo Low (pH 4.5-6) 2.99 6.23 -93.51 4 2 2 42 238.4 3 ↓

Analogs

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Popular Name: (2-cyclopentylsulfanyl-6-methyl-3-pyridyl)methanamine (2-cyclopentylsulfanyl-6-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) 2.23 5.4 -41.99 3 2 1 41 223.365 3 ↓
Hi High (pH 8-9.5) 2.23 4.96 -4.91 2 2 0 39 222.357 3 ↓

Analogs

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Popular Name: 5-bromo-2-cyclopentylsulfanyl-3-nitro-pyridine 5-bromo-2-cyclopentylsulfanyl-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) 3.90 8.05 -4.35 0 4 0 59 303.181 3 ↓

Analogs

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Popular Name: 3-bromo-2-cyclopentylsulfanyl-pyridine 3-bromo-2-cyclopentylsulfanyl-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) 3.80 7.44 -4.28 0 1 0 13 258.184 2 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-6-methyl-pyridine-3-carboxylic 2-cyclopentylsulfanyl-6-methyl-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) 2.61 7.89 -49.9 0 3 -1 53 236.316 3 ↓
Lo Low (pH 4.5-6) 2.61 8.21 -39.93 1 3 0 54 237.324 3 ↓

Analogs

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Popular Name: 1-[(2-cyclopentylsulfanylpyridine-3-carbonyl)amino]-3-methyl-urea 1-[(2-cyclopentylsulfanylpyridin…

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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) 1.59 3.49 -16.67 3 6 0 83 294.38 4 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanylpyridin-3-amine 2-cyclopentylsulfanylpyridin-3-a…

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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 4.79 -4.57 2 2 0 39 194.303 2 ↓
Lo Low (pH 4.5-6) 2.47 5.14 -27.09 3 2 1 40 195.311 2 ↓

Analogs

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Popular Name: 6-cyclopentylsulfanylpyridin-3-amine 6-cyclopentylsulfanylpyridin-3-a…

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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) 2.69 4.72 -4.76 2 2 0 39 194.303 2 ↓
Lo Low (pH 4.5-6) 2.69 5.06 -26.12 3 2 1 40 195.311 2 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-2-cyclopentylsulfanyl-pyridine-3-carboxamide N-(2-bromoallyl)-2-cyclopentylsu…

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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) 3.29 7.16 -9.51 1 3 0 42 341.274 5 ↓

Analogs

1396774
1396774
481446
481446

Draw Identity 99% 90% 80% 70%

Popular Name: 6-cyclopentylsulfanylpyridine-3-carboxylic 6-cyclopentylsulfanylpyridine-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 7.39 -43.96 0 3 -1 53 222.289 3 ↓

Analogs

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Popular Name: 6-[(1R,2S)-2-hydroxycyclopentyl]sulfanylpyridine-3-carboxylic 6-[(1R,2S)-2-hydroxycyclopentyl]…

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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) 1.46 4.28 -46.57 1 4 -1 73 238.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1S,2S)-2-hydroxycyclopentyl]sulfanylpyridine-3-carboxylic 6-[(1S,2S)-2-hydroxycyclopentyl]…

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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) 1.46 4.12 -46.38 1 4 -1 73 238.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,2R)-2-hydroxycyclopentyl]sulfanylpyridine-3-carboxylic 6-[(1R,2R)-2-hydroxycyclopentyl]…

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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) 1.46 4.06 -46.41 1 4 -1 73 238.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1S,2R)-2-hydroxycyclopentyl]sulfanylpyridine-3-carboxylic 6-[(1S,2R)-2-hydroxycyclopentyl]…

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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) 1.46 4.31 -46.39 1 4 -1 73 238.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-pyridylsulfanyl)cyclopentanol (1S,2R)-2-(2-pyridylsulfanyl)cyc…

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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) 1.89 3.75 -6.26 1 2 0 33 195.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-pyridylsulfanyl)cyclopentanol (1S,2S)-2-(2-pyridylsulfanyl)cyc…

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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) 1.89 3.58 -6.5 1 2 0 33 195.287 2 ↓

Parameters Provided:

ring.id = 15852
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 = 15852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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