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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-pyrimidin-4-ylcyclopropan-1-amine (1R,2S)-2-pyrimidin-4-ylcyclopro…

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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) -0.26 1.96 -41.99 3 3 1 53 136.178 1 ↓
Hi High (pH 8-9.5) -0.26 1.67 -6.12 2 3 0 52 135.17 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-pyrimidin-4-ylcyclopropan-1-amine (1S,2S)-2-pyrimidin-4-ylcyclopro…

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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) -0.26 1.92 -46.51 3 3 1 53 136.178 1 ↓
Hi High (pH 8-9.5) -0.26 1.6 -5.23 2 3 0 52 135.17 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-pyrimidin-4-ylcyclopropan-1-amine (1R,2R)-2-pyrimidin-4-ylcyclopro…

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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) -0.26 1.92 -46.49 3 3 1 53 136.178 1 ↓
Hi High (pH 8-9.5) -0.26 1.59 -6.29 2 3 0 52 135.17 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-pyrimidin-4-ylcyclopropan-1-amine (1S,2R)-2-pyrimidin-4-ylcyclopro…

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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) -0.26 1.96 -42.02 3 3 1 53 136.178 1 ↓
Hi High (pH 8-9.5) -0.26 1.66 -4.6 2 3 0 52 135.17 1 ↓

Analogs

43558472
43558472

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Popular Name: 4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylic 4-cyclopropyl-2-(2,2-dimethylpro…

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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) 2.14 7.69 -43.29 0 4 -1 66 233.291 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-cyclopropyl-2-(2,2-dimethylpropyl)-N-ethyl-pyrimidin-4-amine 6-cyclopropyl-2-(2,2-dimethylpro…

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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) 3.16 7.48 -5.01 1 3 0 38 233.359 5 ↓
Mid Mid (pH 6-8) 3.16 8.06 -24.17 2 3 1 39 234.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-cyclopropyl-2-(2,2-dimethylpropyl)-N-propyl-pyrimidin-4-amine 6-cyclopropyl-2-(2,2-dimethylpro…

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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) 3.66 8.24 -4.69 1 3 0 38 247.386 6 ↓
Mid Mid (pH 6-8) 3.66 8.82 -24.21 2 3 1 39 248.394 6 ↓

Analogs

34333234
34333234

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Cyclopropylpyrimidin-2-amine 4-Cyclopropylpyrimidin-2-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) 0.40 3.96 -5.96 2 3 0 52 135.17 1 ↓

Analogs

2538393
2538393

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-3-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic (2R)-2-amino-3-[4-cyclopropyl-6-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.08 4.25 -41.87 3 5 0 94 307.297 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-pyrimidinecarboxylic acid, 2-amino-6-cyclopropyl-, ethyl ester 4-pyrimidinecarboxylic acid, 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) 1.07 5.51 -6.37 2 5 0 78 207.233 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-pyrimidinecarboxylic acid, 2-amino-6-cyclopropyl- 4-pyrimidinecarboxylic acid, 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) 0.43 4.5 -47.98 2 5 -1 92 178.171 2 ↓
Lo Low (pH 4.5-6) 0.43 4.93 -25.23 3 5 0 93 179.179 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-pyrimidinecarboxylic acid, 2-amino-6-cyclopropyl-, hydrazide 4-pyrimidinecarboxylic acid, 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) -0.76 0.89 -8.15 5 6 0 107 193.21 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-pyrimidinecarboxylic acid, 2-amino-4-cyclopropyl-6-methyl-, ethyl ester 5-pyrimidinecarboxylic acid, 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) 0.98 6.36 -7.14 2 5 0 78 221.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-pyrimidinecarboxylic acid, 2-amino-4-cyclopropyl-6-methyl-, hydrazide 5-pyrimidinecarboxylic acid, 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) -0.85 1.39 -9.72 5 6 0 107 207.237 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-pyrimidinecarboxylic acid, 2-amino-4-cyclopropyl-6-methyl- 5-pyrimidinecarboxylic acid, 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) 0.34 5.41 -47.87 2 5 -1 92 192.198 2 ↓
Lo Low (pH 4.5-6) 0.34 5.75 -40.32 3 5 0 93 193.206 2 ↓
Lo Low (pH 4.5-6) 0.34 5.87 -40.78 3 5 0 93 193.206 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-pyrimidinecarboxamide, 2-amino-4-cyclopropyl-6-methyl- 5-pyrimidinecarboxamide, 2-amino…

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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) -0.41 1.27 -9.16 4 5 0 95 192.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-pyrimidinecarboxamide, 2-amino-4-cyclopropyl-N,6-dimethyl- 5-pyrimidinecarboxamide, 2-amino…

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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) -0.04 2.76 -9.17 3 5 0 81 206.249 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-pyrimidinecarboxamide, 2-amino-4-cyclopropyl-N-ethyl-6-methyl- 5-pyrimidinecarboxamide, 2-amino…

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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) 0.34 3.6 -8.52 3 5 0 81 220.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-pyrimidinecarboxamide, 2-amino-4-cyclopropyl-N,N-diethyl-6-methyl- 5-pyrimidinecarboxamide, 2-amino…

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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) 0.49 6.34 -8.73 2 5 0 72 248.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-pyrimidinecarboxamide, 2-amino-6-cyclopropyl-N-ethyl- 4-pyrimidinecarboxamide, 2-amino…

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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) 0.43 3.11 -6.99 3 5 0 81 206.249 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-pyrimidinecarboxamide, 2-amino-6-cyclopropyl-N-methyl- 4-pyrimidinecarboxamide, 2-amino…

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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) 0.05 2.27 -7.43 3 5 0 81 192.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-pyrimidinecarboxamide, 2-amino-6-cyclopropyl-N,N-dimethyl- 4-pyrimidinecarboxamide, 2-amino…

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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) 0.30 4.84 -7.87 2 5 0 72 206.249 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-pyrimidinecarboxamide, 2-amino-6-cyclopropyl- 4-pyrimidinecarboxamide, 2-amino…

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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) -0.32 0.78 -7.24 4 5 0 95 178.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-pyrimidinecarboxamide, 2-amino-4-cyclopropyl-N,N,6-trimethyl- 5-pyrimidinecarboxamide, 2-amino…

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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) -0.26 4.66 -8.99 2 5 0 72 220.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(1R,2S)-2-pyrimidin-4-ylcyclopropyl]methanamine N-methyl-1-[(1R,2S)-2-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) 0.62 4.38 -40.57 2 3 1 42 164.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(1S,2S)-2-pyrimidin-4-ylcyclopropyl]methanamine N-methyl-1-[(1S,2S)-2-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) 0.62 4.53 -42.21 2 3 1 42 164.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(1R,2R)-2-pyrimidin-4-ylcyclopropyl]methanamine N-methyl-1-[(1R,2R)-2-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) 0.62 4.53 -42.19 2 3 1 42 164.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(1S,2R)-2-pyrimidin-4-ylcyclopropyl]methanamine N-methyl-1-[(1S,2R)-2-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) 0.62 4.38 -40.57 2 3 1 42 164.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(1R,2S)-2-pyrimidin-4-ylcyclopropyl]methyl]propan-2-amine 2-methyl-N-[[(1R,2S)-2-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) 1.80 6.18 -37.21 2 3 1 42 206.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(1S,2S)-2-pyrimidin-4-ylcyclopropyl]methyl]propan-2-amine 2-methyl-N-[[(1S,2S)-2-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) 1.80 6.33 -38.83 2 3 1 42 206.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(1R,2R)-2-pyrimidin-4-ylcyclopropyl]methyl]propan-2-amine 2-methyl-N-[[(1R,2R)-2-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) 1.80 6.33 -38.8 2 3 1 42 206.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(1S,2R)-2-pyrimidin-4-ylcyclopropyl]methyl]propan-2-amine 2-methyl-N-[[(1S,2R)-2-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) 1.80 6.18 -37.25 2 3 1 42 206.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 1.74 4.9 -7.18 1 5 0 64 263.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-6-cyclopropylpyrimidine 2,4-dichloro-6-cyclopropylpyrimi…

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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) 2.62 4.81 -4.32 0 2 0 26 189.045 1 ↓

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) 0.41 5.38 -5.28 0 4 0 52 178.191 3 ↓

Analogs

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Popular Name: 4-cyclopropylpyrimidine-5-carboxylic 4-cyclopropylpyrimidine-5-carbox…

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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) 0.15 5.29 -41.34 0 4 -1 66 163.156 2 ↓

Analogs

44654786
44654786

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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) 0.50 5.32 -5.45 0 4 0 52 192.218 3 ↓

Analogs

44654786
44654786
53136701
53136701

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Popular Name: 4-cyclopropyl-2-methylpyrimidine-5-carboxylic acid 4-cyclopropyl-2-methylpyrimidine…

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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) 0.24 5.24 -42.63 0 4 -1 66 177.183 2 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.56 6.54 -5.09 0 4 0 52 220.272 4 ↓

Analogs

43558453
43558453
43558488
43558488
44654786
44654786
53132630
53132630
53136701
53136701

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Popular Name: 4-cyclopropyl-2-isopropyl-pyrimidine-5-carboxylic 4-cyclopropyl-2-isopropyl-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) 1.30 6.45 -42.7 0 4 -1 66 205.237 3 ↓

Analogs

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Popular Name: 2-Chloro-4-(cyclopropyl)pyrimidine 2-Chloro-4-(cyclopropyl)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) 1.60 4.4 -6.45 0 2 0 26 154.6 1 ↓

Analogs

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Popular Name: 4-chloro-6-cyclopropylpyrimidine 4-chloro-6-cyclopropylpyrimidine

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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) 1.62 5.02 -4.06 0 2 0 26 154.6 1 ↓

Parameters Provided:

ring.id = 143204
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 = 143204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=143204&filter.purchasability=annotated

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