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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-methyl-N2-[2-(3-pyridyl)ethyl]pyridine-2,5-diamine 3-methyl-N2-[2-(3-pyridyl)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) 1.49 4.48 -29.81 4 4 1 65 229.307 4 ↓
Mid Mid (pH 6-8) 1.49 4.13 -8.59 3 4 0 64 228.299 4 ↓
Lo Low (pH 4.5-6) 1.49 4.94 -77.72 5 4 2 66 230.315 4 ↓

Analogs

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Popular Name: 3-fluoro-N-[2-(3-pyridyl)ethyl]pyridin-2-amine 3-fluoro-N-[2-(3-pyridyl)ethyl]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) 1.58 5.58 -7.33 1 3 0 38 217.247 4 ↓
Lo Low (pH 4.5-6) 1.58 6.05 -34.92 2 3 1 39 218.255 4 ↓

Analogs

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Popular Name: 3-chloro-N-[2-(3-pyridyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine 3-chloro-N-[2-(3-pyridyl)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) 2.97 7.02 -5.96 1 3 0 38 301.699 5 ↓
Lo Low (pH 4.5-6) 2.97 7.49 -35.63 2 3 1 39 302.707 5 ↓

Analogs

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Popular Name: 2-[2-(3-pyridyl)ethylamino]pyridine-3-carbonitrile 2-[2-(3-pyridyl)ethylamino]pyrid…

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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) 1.17 5.91 -8.74 1 4 0 62 224.267 4 ↓
Lo Low (pH 4.5-6) 1.17 6.37 -36.91 2 4 1 63 225.275 4 ↓

Analogs

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Popular Name: 6-[2-(3-pyridyl)ethylamino]pyridine-3-carbonitrile 6-[2-(3-pyridyl)ethylamino]pyrid…

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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) 1.22 5.58 -9.21 1 4 0 62 224.267 4 ↓
Lo Low (pH 4.5-6) 1.22 6.05 -42.25 2 4 1 63 225.275 4 ↓

Analogs

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Popular Name: 6-methoxy-N2-[2-(3-pyridyl)ethyl]pyridine-2,5-diamine 6-methoxy-N2-[2-(3-pyridyl)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) 1.30 1.66 -7.98 3 5 0 73 244.298 5 ↓
Lo Low (pH 4.5-6) 1.30 2.12 -38.45 4 5 1 74 245.306 5 ↓

Analogs

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Popular Name: 6-ethoxy-N2-[2-(3-pyridyl)ethyl]pyridine-2,5-diamine 6-ethoxy-N2-[2-(3-pyridyl)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) 1.67 2.59 -7.81 3 5 0 73 258.325 6 ↓
Lo Low (pH 4.5-6) 1.67 3.07 -38.24 4 5 1 74 259.333 6 ↓

Analogs

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Popular Name: 6-isopropoxy-N2-[2-(3-pyridyl)ethyl]pyridine-2,5-diamine 6-isopropoxy-N2-[2-(3-pyridyl)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) 2.04 3.52 -7.69 3 5 0 73 272.352 6 ↓
Lo Low (pH 4.5-6) 2.04 3.98 -37.93 4 5 1 74 273.36 6 ↓

Analogs

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Popular Name: 6-propoxy-N2-[2-(3-pyridyl)ethyl]pyridine-2,5-diamine 6-propoxy-N2-[2-(3-pyridyl)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 3.4 -7.75 3 5 0 73 272.352 7 ↓
Lo Low (pH 4.5-6) 2.17 3.87 -38.04 4 5 1 74 273.36 7 ↓

Analogs

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Popular Name: 6-isobutoxy-N2-[2-(3-pyridyl)ethyl]pyridine-2,5-diamine 6-isobutoxy-N2-[2-(3-pyridyl)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) 2.42 4.09 -7.49 3 5 0 73 286.379 7 ↓
Lo Low (pH 4.5-6) 2.42 4.56 -37.79 4 5 1 74 287.387 7 ↓

Analogs

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Popular Name: 6-tert-butoxy-N2-[2-(3-pyridyl)ethyl]pyridine-2,5-diamine 6-tert-butoxy-N2-[2-(3-pyridyl)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) 2.48 5.21 -6.98 3 5 0 73 286.379 6 ↓
Lo Low (pH 4.5-6) 2.48 5.68 -37.4 4 5 1 74 287.387 6 ↓

Analogs

36226346
36226346

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Popular Name: N2-[2-(3-pyridyl)ethyl]pyridine-2,3-diamine N2-[2-(3-pyridyl)ethyl]pyridine-…

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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) 0.90 3.63 -8.6 3 4 0 64 214.272 4 ↓
Mid Mid (pH 6-8) 0.90 3.99 -31.2 4 4 1 65 215.28 4 ↓
Lo Low (pH 4.5-6) 0.90 4.46 -79.16 5 4 2 66 216.288 4 ↓

Analogs

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Popular Name: N2-[2-(3-pyridyl)ethyl]pyridine-2,5-diamine N2-[2-(3-pyridyl)ethyl]pyridine-…

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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) 1.12 3.07 -7.47 3 4 0 64 214.272 4 ↓
Mid Mid (pH 6-8) 1.12 3.53 -31.38 4 4 1 65 215.28 4 ↓
Lo Low (pH 4.5-6) 1.12 4 -77.24 5 4 2 66 216.288 4 ↓

Analogs

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Popular Name: 2-[2-(3-pyridyl)ethylamino]pyridine-3-carbothioamide 2-[2-(3-pyridyl)ethylamino]pyrid…

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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) 1.22 4.74 -14.12 3 4 0 64 258.35 5 ↓
Lo Low (pH 4.5-6) 1.22 5.1 -45.84 4 4 1 65 259.358 5 ↓
Lo Low (pH 4.5-6) 1.22 5.57 -96.7 5 4 2 66 260.366 5 ↓

Analogs

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Popular Name: 6-[2-(3-pyridyl)ethylamino]pyridine-3-carbothioamide 6-[2-(3-pyridyl)ethylamino]pyrid…

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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 4.39 -15.61 3 4 0 64 258.35 5 ↓
Lo Low (pH 4.5-6) 1.27 4.87 -52.07 4 4 1 65 259.358 5 ↓
Lo Low (pH 4.5-6) 1.27 5.34 -99.98 5 4 2 66 260.366 5 ↓

Analogs

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Popular Name: 2-[2-(3-pyridyl)ethylamino]pyridine-4-carbothioamide 2-[2-(3-pyridyl)ethylamino]pyrid…

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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) 1.21 4.4 -15.94 3 4 0 64 258.35 5 ↓
Mid Mid (pH 6-8) 1.21 4.88 -49.96 4 4 1 65 259.358 5 ↓
Lo Low (pH 4.5-6) 1.21 5.35 -91.09 5 4 2 66 260.366 5 ↓

Analogs

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Popular Name: 6-methyl-N-[2-(3-pyridyl)ethyl]pyridin-2-amine 6-methyl-N-[2-(3-pyridyl)ethyl]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) 1.52 6.24 -30.3 2 3 1 39 214.292 4 ↓
Hi High (pH 8-9.5) 1.52 5.8 -7.28 1 3 0 38 213.284 4 ↓
Lo Low (pH 4.5-6) 1.52 6.71 -76.59 3 3 2 40 215.3 4 ↓

Analogs

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Popular Name: 5-chloro-N-[2-(3-pyridyl)ethyl]pyridin-2-amine 5-chloro-N-[2-(3-pyridyl)ethyl]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) 2.31 5.68 -6.38 1 3 0 38 233.702 4 ↓
Lo Low (pH 4.5-6) 2.31 6.14 -37.92 2 3 1 39 234.71 4 ↓

Analogs

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Popular Name: 2-[2-(3-pyridyl)ethylamino]pyridine-4-carboxylic 2-[2-(3-pyridyl)ethylamino]pyrid…

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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) 1.33 6.22 -52.28 2 5 0 79 243.266 5 ↓
Mid Mid (pH 6-8) 1.33 5.75 -49.68 1 5 -1 78 242.258 5 ↓
Lo Low (pH 4.5-6) 1.33 6.69 -82.13 3 5 1 80 244.274 5 ↓

Analogs

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Popular Name: 5-chloro-6-[2-(3-pyridyl)ethylamino]pyridine-3-carboxylic 5-chloro-6-[2-(3-pyridyl)ethylam…

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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 6.62 -46.35 1 5 -1 78 276.703 5 ↓
Lo Low (pH 4.5-6) 1.65 7.08 -66.19 2 5 0 79 277.711 5 ↓

Analogs

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Popular Name: 3-chloro-N-[2-(3-pyridyl)ethyl]pyridin-2-amine 3-chloro-N-[2-(3-pyridyl)ethyl]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) 2.09 6.06 -6.79 1 3 0 38 233.702 4 ↓
Lo Low (pH 4.5-6) 2.09 6.53 -34.31 2 3 1 39 234.71 4 ↓

Analogs

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Popular Name: 6-[2-(3-pyridyl)ethylamino]pyridine-3-carboxylic 6-[2-(3-pyridyl)ethylamino]pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 6.2 -46.52 2 5 0 79 243.266 5 ↓
Mid Mid (pH 6-8) 1.04 5.73 -50.01 1 5 -1 78 242.258 5 ↓
Lo Low (pH 4.5-6) 1.04 6.67 -86.34 3 5 1 80 244.274 5 ↓

Analogs

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Popular Name: 3-chloro-6-[2-(3-pyridyl)ethylamino]pyridine-2-carboxylic 3-chloro-6-[2-(3-pyridyl)ethylam…

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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 6.15 -52.88 1 5 -1 78 276.703 5 ↓
Lo Low (pH 4.5-6) 2.12 6.62 -76.59 2 5 0 79 277.711 5 ↓

Analogs

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Popular Name: 2-chloro-6-[2-(3-pyridyl)ethylamino]pyridine-4-carboxylic 2-chloro-6-[2-(3-pyridyl)ethylam…

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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) 2.35 6.17 -45.53 1 5 -1 78 276.703 5 ↓
Lo Low (pH 4.5-6) 2.35 6.64 -61.08 2 5 0 79 277.711 5 ↓

Analogs

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Popular Name: 5-bromo-N-[2-(3-pyridyl)ethyl]pyridin-2-amine 5-bromo-N-[2-(3-pyridyl)ethyl]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) 2.44 5.78 -6.31 1 3 0 38 278.153 4 ↓
Lo Low (pH 4.5-6) 2.44 6.25 -37.9 2 3 1 39 279.161 4 ↓

Analogs

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Popular Name: ethyl 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) 1.62 7.3 -8.63 1 5 0 64 271.32 7 ↓
Lo Low (pH 4.5-6) 1.62 7.77 -35.11 2 5 1 65 272.328 7 ↓

Analogs

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Popular Name: 5-methyl-N-[2-(3-pyridyl)ethyl]pyridin-2-amine 5-methyl-N-[2-(3-pyridyl)ethyl]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) 1.92 6.3 -31.93 2 3 1 39 214.292 4 ↓
Mid Mid (pH 6-8) 1.92 5.83 -6.93 1 3 0 38 213.284 4 ↓
Lo Low (pH 4.5-6) 1.92 6.77 -78.14 3 3 2 40 215.3 4 ↓

Analogs

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Popular Name: N-[2-(3-pyridyl)ethyl]pyridin-2-amine N-[2-(3-pyridyl)ethyl]pyridin-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) 1.46 5.67 -32.75 2 3 1 39 200.265 4 ↓
Mid Mid (pH 6-8) 1.46 5.19 -7.03 1 3 0 38 199.257 4 ↓
Lo Low (pH 4.5-6) 1.46 6.13 -78.19 3 3 2 40 201.273 4 ↓

Analogs

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Popular Name: 6-chloro-3-nitro-N-[2-(3-pyridyl)ethyl]pyridin-2-amine 6-chloro-3-nitro-N-[2-(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) 2.39 6.82 -7.69 1 6 0 84 278.699 5 ↓
Lo Low (pH 4.5-6) 2.39 7.29 -36.25 2 6 1 85 279.707 5 ↓

Analogs

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Popular Name: 5-amino-2-[2-(3-pyridyl)ethylamino]pyridine-3-carboxamide 5-amino-2-[2-(3-pyridyl)ethylami…

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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) -0.14 0.51 -11.74 5 6 0 107 257.297 5 ↓
Lo Low (pH 4.5-6) -0.14 0.98 -36.46 6 6 1 108 258.305 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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