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ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 4-bromo-6-tert-butoxy-pyrimidine 4-bromo-6-tert-butoxy-pyrimidine

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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 5.06 -3.19 0 3 0 35 231.093 2 ↓

Analogs

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Popular Name: 4-bromo-6-isopropoxy-pyrimidine 4-bromo-6-isopropoxy-pyrimidine

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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) 2.08 3.37 -3.42 0 3 0 35 217.066 2 ↓

Analogs

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Popular Name: 4-bromo-6-ethoxy-pyrimidine 4-bromo-6-ethoxy-pyrimidine

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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 2.44 -3.44 0 3 0 35 203.039 2 ↓

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Popular Name: 4-bromo-6-(cyclopropoxy)pyrimidine 4-bromo-6-(cyclopropoxy)pyrimidine

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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) 1.71 3.39 -3.61 0 3 0 35 215.05 2 ↓

Analogs

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Popular Name: 4-bromo-6-pyrrolidin-1-yl-pyrimidine 4-bromo-6-pyrrolidin-1-yl-pyrimi…

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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) 1.79 5.82 -5.1 0 3 0 29 228.093 1 ↓

Analogs

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Popular Name: 4-bromo-6-piperazin-1-yl-pyrimidine 4-bromo-6-piperazin-1-yl-pyrimidine

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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) 0.68 4.29 -47.32 2 4 1 46 244.116 1 ↓
Hi High (pH 8-9.5) 0.68 2.99 -4.83 1 4 0 41 243.108 1 ↓

Analogs

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Popular Name: 4-Bromo-6-(methylthio)pyrimidine 4-Bromo-6-(methylthio)pyrimidine

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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 4.18 -3.52 0 2 0 26 205.08 1 ↓

Analogs

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Popular Name: 4-bromo-2-(cyclopropoxy)pyrimidine 4-bromo-2-(cyclopropoxy)pyrimidine

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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) 1.69 1.59 -6.74 0 3 0 35 215.05 2 ↓

Analogs

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Popular Name: 4-bromo-2-piperazin-1-yl-pyrimidine 4-bromo-2-piperazin-1-yl-pyrimidine

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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) 1.20 5.22 -43.41 2 4 1 46 244.116 1 ↓
Hi High (pH 8-9.5) 1.20 3.92 -5.57 1 4 0 41 243.108 1 ↓

Analogs

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Popular Name: 4-benzyloxy-6-bromo-pyrimidine 4-benzyloxy-6-bromo-pyrimidine

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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) 2.94 5.49 -4.38 0 3 0 35 265.11 3 ↓

Analogs

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Popular Name: 4-benzyloxy-2-bromo-pyrimidine 4-benzyloxy-2-bromo-pyrimidine

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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) 2.92 4.83 -5.86 0 3 0 35 265.11 3 ↓

Analogs

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Popular Name: 2-chloro-6-fluoro-pyrazine 2-chloro-6-fluoro-pyrazine

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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) 1.32 1.26 -4.01 0 2 0 26 132.525 0 ↓

Analogs

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Popular Name: 2-bromopyrimidine-5-carboxamide 2-bromopyrimidine-5-carboxamide

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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) -0.22 -0.86 -8.99 2 4 0 69 202.011 1 ↓

Analogs

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Popular Name: 2-Bromopyrimidine-4-carboxamide 2-Bromopyrimidine-4-carboxamide

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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) 0.20 -0.79 -6.62 2 4 0 69 202.011 1 ↓

Analogs

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Popular Name: 2-bromo-N-methyl-pyrimidin-5-amine 2-bromo-N-methyl-pyrimidin-5-amine

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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) 1.15 1.17 -6.82 1 3 0 38 188.028 1 ↓

Analogs

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Popular Name: 2-bromo-N-methyl-pyrimidin-4-amine 2-bromo-N-methyl-pyrimidin-4-amine

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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 2.04 -6.58 1 3 0 38 188.028 1 ↓

Analogs

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Popular Name: 2-bromo-N-cyclopropyl-pyrimidin-5-amine 2-bromo-N-cyclopropyl-pyrimidin-…

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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) 1.51 2.83 -5.93 1 3 0 38 214.066 2 ↓

Analogs

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Popular Name: 2-bromo-N-cyclopropyl-pyrimidin-4-amine 2-bromo-N-cyclopropyl-pyrimidin-…

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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 3.7 -6.02 1 3 0 38 214.066 2 ↓

Analogs

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Popular Name: 2-bromo-N,N-dimethyl-pyrimidin-5-amine 2-bromo-N,N-dimethyl-pyrimidin-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) 1.39 2.74 -6.64 0 3 0 29 202.055 1 ↓

Analogs

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Popular Name: 2-bromo-6-(cyclopropoxy)pyridine 2-bromo-6-(cyclopropoxy)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) 2.61 3.61 -5.05 0 2 0 22 214.062 2 ↓

Analogs

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Popular Name: 2-Bromo-5-(trifluoromethyl)thiazole 2-Bromo-5-(trifluoromethyl)thiazole

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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) 2.94 3.41 -2.17 0 1 0 13 232.024 1 ↓

Analogs

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Popular Name: 2-bromo-5-pyrrolidin-1-yl-pyrimidine 2-bromo-5-pyrrolidin-1-yl-pyrimi…

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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) 1.79 4.08 -5.88 0 3 0 29 228.093 1 ↓

Analogs

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Popular Name: 2-bromo-5-methylsulfonyl-pyrazine 2-bromo-5-methylsulfonyl-pyrazine

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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) 0.76 -1.25 -11.87 0 4 0 60 237.078 1 ↓

Analogs

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Popular Name: 2-bromo-4-tert-butoxy-pyrimidine 2-bromo-4-tert-butoxy-pyrimidine

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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) 2.51 4.38 -4.46 0 3 0 35 231.093 2 ↓

Analogs

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Popular Name: 2-bromo-4-isopropoxy-pyrimidine 2-bromo-4-isopropoxy-pyrimidine

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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 2.7 -4.96 0 3 0 35 217.066 2 ↓

Analogs

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Popular Name: 2-bromo-4-fluoro-thiazole 2-bromo-4-fluoro-thiazole

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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 2.13 -5.42 0 1 0 13 182.017 0 ↓

Analogs

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Popular Name: 2-bromo-4-ethoxy-pyrimidine 2-bromo-4-ethoxy-pyrimidine

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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) 1.70 1.78 -5.09 0 3 0 35 203.039 2 ↓

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Popular Name: 2-bromo-4-(cyclopropoxy)pyrimidine 2-bromo-4-(cyclopropoxy)pyrimidine

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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) 1.69 2.73 -5.23 0 3 0 35 215.05 2 ↓

Analogs

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Popular Name: 2-bromo-4-methylsulfanyl-pyrimidine 2-bromo-4-methylsulfanyl-pyrimidine

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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) 1.86 3.5 -5.13 0 2 0 26 205.08 1 ↓

Analogs

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Popular Name: 2-bromo-4-(4-methylpiperazin-1-yl)pyrimidine 2-bromo-4-(4-methylpiperazin-1-y…

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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 5.85 -43.48 1 4 1 33 258.143 1 ↓
Mid Mid (pH 6-8) 1.26 3.49 -6.51 0 4 0 32 257.135 1 ↓

Analogs

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Popular Name: 2-benzyloxy-4-bromo-pyrimidine 2-benzyloxy-4-bromo-pyrimidine

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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) 2.92 3.69 -8.02 0 3 0 35 265.11 3 ↓

Analogs

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Popular Name: 6-chloro-N-(4-pyridyl)pyridin-2-amine 6-chloro-N-(4-pyridyl)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) 2.76 5.38 -8.24 1 3 0 38 205.648 2 ↓
Lo Low (pH 4.5-6) 2.76 5.83 -32.62 2 3 1 39 206.656 2 ↓

Analogs

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Popular Name: 6-chloro-N-(2-pyridyl)pyridin-2-amine 6-chloro-N-(2-pyridyl)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) 3.15 6.83 -9.98 1 3 0 38 205.648 2 ↓
Lo Low (pH 4.5-6) 3.15 6.8 -31.26 2 3 1 39 206.656 2 ↓

Analogs

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Popular Name: 2-bromo-N-(4-pyridyl)pyridin-4-amine 2-bromo-N-(4-pyridyl)pyridin-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) 2.50 3.81 -5.89 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 2.50 4.27 -38.8 2 3 1 39 251.107 2 ↓

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Popular Name: 2-bromo-N-(3-pyridyl)pyridin-4-amine 2-bromo-N-(3-pyridyl)pyridin-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) 2.72 3.81 -5.82 1 3 0 38 250.099 2 ↓

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Popular Name: 2-bromo-N-(2-pyridyl)pyridin-4-amine 2-bromo-N-(2-pyridyl)pyridin-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) 2.89 5.47 -6.41 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 2.89 5.08 -36.07 2 3 1 39 251.107 2 ↓

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Popular Name: 2-bromo-N-phenyl-pyridin-4-amine 2-bromo-N-phenyl-pyridin-4-amine

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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) 3.79 5.57 -4.36 1 2 0 25 249.111 2 ↓

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Popular Name: 6-bromo-N-(4-pyridyl)pyridin-3-amine 6-bromo-N-(4-pyridyl)pyridin-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) 2.72 3.81 -6.05 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 2.72 4.28 -38.82 2 3 1 39 251.107 2 ↓

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Popular Name: 6-bromo-N-(3-pyridyl)pyridin-3-amine 6-bromo-N-(3-pyridyl)pyridin-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) 2.94 3.8 -5.88 1 3 0 38 250.099 2 ↓

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Popular Name: 6-bromo-N-(2-pyridyl)pyridin-3-amine 6-bromo-N-(2-pyridyl)pyridin-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) 3.11 5.47 -6.44 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 3.11 5.08 -36.06 2 3 1 39 251.107 2 ↓

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Popular Name: 6-bromo-N-phenyl-pyridin-3-amine 6-bromo-N-phenyl-pyridin-3-amine

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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) 4.01 5.56 -4.33 1 2 0 25 249.111 2 ↓

Analogs

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Popular Name: 5-bromo-N-(4-pyridyl)pyridin-3-amine 5-bromo-N-(4-pyridyl)pyridin-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) 2.52 3.92 -5.19 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 2.52 4.38 -35.72 2 3 1 39 251.107 2 ↓

Analogs

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Popular Name: 5-bromo-N-(3-pyridyl)pyridin-3-amine 5-bromo-N-(3-pyridyl)pyridin-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) 2.74 3.91 -4.95 1 3 0 38 250.099 2 ↓

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Popular Name: 5-bromo-N-(2-pyridyl)pyridin-3-amine 5-bromo-N-(2-pyridyl)pyridin-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) 2.91 5.55 -6.02 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 2.91 5.17 -33.48 2 3 1 39 251.107 2 ↓

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Popular Name: 6-bromo-N-(4-pyridyl)pyridin-2-amine 6-bromo-N-(4-pyridyl)pyridin-2-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) 2.89 5.47 -8.06 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 2.89 5.92 -32.54 2 3 1 39 251.107 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-bromo-N-(2-pyridyl)pyridin-2-amine 6-bromo-N-(2-pyridyl)pyridin-2-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) 3.28 6.91 -9.67 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 3.28 6.89 -31.25 2 3 1 39 251.107 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(4-pyridyl)pyridin-2-amine 5-bromo-N-(4-pyridyl)pyridin-2-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) 2.72 5.58 -6.33 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 2.72 6.03 -33.24 2 3 1 39 251.107 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(2-pyridyl)pyridin-2-amine 5-bromo-N-(2-pyridyl)pyridin-2-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) 3.11 7.01 -7.91 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 3.11 7 -31.31 2 3 1 39 251.107 2 ↓

Analogs

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Popular Name: 4-bromo-N-(4-pyridyl)pyridin-2-amine 4-bromo-N-(4-pyridyl)pyridin-2-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) 2.50 5.58 -5.81 1 3 0 38 250.099 2 ↓
Lo Low (pH 4.5-6) 2.50 6.04 -33.18 2 3 1 39 251.107 2 ↓

Analogs

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Popular Name: 4-bromo-N-(3-pyridyl)pyridin-2-amine 4-bromo-N-(3-pyridyl)pyridin-2-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) 2.72 5.57 -5.6 1 3 0 38 250.099 2 ↓

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