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Analogs

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Popular Name: 4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine 4-chloro-N-(3-methoxypropyl)-N-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 10.55 -8.62 0 6 0 54 285.779 6 ↓

Analogs

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Popular Name: (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine (3S)-1-(4,6-dimethoxy-1,3,5-tria…

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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) 0.82 -1.63 -53.82 3 7 1 88 226.26 3 ↓
Hi High (pH 8-9.5) 0.82 -1.93 -8.08 2 7 0 86 225.252 3 ↓

Analogs

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Popular Name: (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine (3R)-1-(4,6-dimethoxy-1,3,5-tria…

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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) 0.82 -1.63 -53.42 3 7 1 88 226.26 3 ↓
Hi High (pH 8-9.5) 0.82 -1.9 -8.8 2 7 0 86 225.252 3 ↓

Analogs

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Popular Name: [(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanamine [(3R)-1-(4,6-dimethoxy-1,3,5-tri…

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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) 1.13 -0.95 -52.99 3 7 1 88 240.287 4 ↓

Analogs

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Popular Name: [(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanamine [(3S)-1-(4,6-dimethoxy-1,3,5-tri…

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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) 1.13 -0.96 -52.84 3 7 1 88 240.287 4 ↓

Analogs

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Popular Name: [(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol [(2R)-1-(4,6-dimethoxy-1,3,5-tri…

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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 -0.13 -10.61 1 7 0 81 240.263 4 ↓

Analogs

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Popular Name: [(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol [(2S)-1-(4,6-dimethoxy-1,3,5-tri…

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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 -0.13 -10.6 1 7 0 81 240.263 4 ↓

Analogs

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Popular Name: [(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol [(3S)-1-(4,6-dimethoxy-1,3,5-tri…

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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 -1.63 -10.79 1 7 0 81 240.263 4 ↓

Analogs

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Popular Name: [(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol [(3R)-1-(4,6-dimethoxy-1,3,5-tri…

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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 -1.63 -10.44 1 7 0 81 240.263 4 ↓

Analogs

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Popular Name: 3-[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol 3-[(2R)-1-(4,6-dimethoxy-1,3,5-t…

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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 0.13 -9.83 1 7 0 81 268.317 6 ↓

Analogs

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Popular Name: 3-[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]propan-1-ol 3-[(2S)-1-(4,6-dimethoxy-1,3,5-t…

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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 0.11 -9.87 1 7 0 81 268.317 6 ↓

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) 2.08 1.86 -13.97 0 8 0 87 268.273 5 ↓

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) 2.08 1.86 -13.95 0 8 0 87 268.273 5 ↓

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) 2.46 2.79 -13.86 0 8 0 87 282.3 6 ↓

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) 2.46 2.78 -13.83 0 8 0 87 282.3 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(4,6-dimethoxy-1,3,5-…

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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) 2.53 2.84 -42.1 2 7 1 77 282.368 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(4,6-dimethoxy-1,3,5-…

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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) 2.53 2.82 -42.12 2 7 1 77 282.368 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(4,6-dimethoxy-1,3,5-…

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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) 2.67 2.74 -40.23 2 7 1 77 282.368 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(4,6-dimethoxy-1,3,5-…

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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) 2.67 2.6 -40.01 2 7 1 77 282.368 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S)-1-(4,6-dimethoxy-1,3,5-…

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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) 3.19 3 -39 2 7 1 77 296.395 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R)-1-(4,6-dimethoxy-1,3,5-…

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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) 3.19 2.99 -39.02 2 7 1 77 296.395 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(4,6-dimethoxy-1,3,5-…

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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) 2.03 2.09 -41.18 2 7 1 77 268.341 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(4,6-dimethoxy-1,3,5-…

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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) 2.03 2.06 -41.3 2 7 1 77 268.341 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2S)-1-(4,6-dimethoxy-1,3,5-…

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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) 2.77 3.73 -41.74 2 7 1 77 296.395 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2R)-1-(4,6-dimethoxy-1,3,5-…

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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) 2.77 3.51 -41.67 2 7 1 77 296.395 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]-2-methoxy-ethanamine N-[[(2S)-1-(4,6-dimethoxy-1,3,5-…

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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) 1.64 1.22 -39.93 2 8 1 86 298.367 8 ↓
Hi High (pH 8-9.5) 1.64 3.01 -8.09 1 8 0 82 297.359 8 ↓

Analogs

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Popular Name: N-[[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methyl]-2-methoxy-ethanamine N-[[(2R)-1-(4,6-dimethoxy-1,3,5-…

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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) 1.64 1.2 -41.6 2 8 1 86 298.367 8 ↓
Hi High (pH 8-9.5) 1.64 -0.11 -8.82 1 8 0 82 297.359 8 ↓

Analogs

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Popular Name: 1-[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]-N-methyl-methanamine 1-[(2S)-1-(4,6-dimethoxy-1,3,5-t…

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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 1.22 -42.7 2 7 1 77 254.314 5 ↓

Analogs

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Popular Name: 1-[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-2-yl]-N-methyl-methanamine 1-[(2R)-1-(4,6-dimethoxy-1,3,5-t…

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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 1.2 -42.81 2 7 1 77 254.314 5 ↓

Analogs

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Popular Name: (3S)-1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-chloro-6-methoxy-1,3,5…

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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) 2.04 4.67 -37.27 1 7 0 92 272.692 3 ↓
Mid Mid (pH 6-8) 2.04 4.91 -44.45 0 7 -1 91 271.684 3 ↓

Analogs

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Popular Name: (3R)-1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-chloro-6-methoxy-1,3,5…

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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) 2.04 4.66 -37.09 1 7 0 92 272.692 3 ↓
Mid Mid (pH 6-8) 2.04 4.96 -42.67 0 7 -1 91 271.684 3 ↓

Analogs

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Popular Name: (3S)-1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(4-chloro-6-methoxy-1,3,5…

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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) 2.37 5.22 -41.25 1 7 0 92 286.719 4 ↓
Mid Mid (pH 6-8) 2.37 5.4 -43.64 0 7 -1 91 285.711 4 ↓

Analogs

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Popular Name: (3R)-1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(4-chloro-6-methoxy-1,3,5…

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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) 2.37 5.18 -40.64 1 7 0 92 286.719 4 ↓
Mid Mid (pH 6-8) 2.37 5.41 -44.52 0 7 -1 91 285.711 4 ↓

Analogs

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Popular Name: (3S)-1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(4-chloro-6-methoxy-1,3,5…

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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) 2.93 5.99 -41.21 1 7 0 92 300.746 5 ↓
Mid Mid (pH 6-8) 2.93 6.16 -43.9 0 7 -1 91 299.738 5 ↓

Analogs

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Popular Name: (3R)-1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(4-chloro-6-methoxy-1,3,5…

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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) 2.93 5.94 -40.69 1 7 0 92 300.746 5 ↓
Mid Mid (pH 6-8) 2.93 6.18 -44.85 0 7 -1 91 299.738 5 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-1,4-dimethylpentyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine 4-chloro-N-[(1R)-1,4-dimethylpen…

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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) 4.52 12.37 -6.01 1 5 0 54 297.834 6 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-1,4-dimethylpentyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine 4-chloro-N-[(1S)-1,4-dimethylpen…

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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) 4.52 12.37 -5.88 1 5 0 54 297.834 6 ↓

Analogs

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Popular Name: (3R)-1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(4-chloro-6-methoxy-1,3,5…

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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) 2.19 5.07 -42.94 1 6 1 56 258.733 3 ↓
Mid Mid (pH 6-8) 2.19 2.67 -5.44 0 6 0 54 257.725 3 ↓

Analogs

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Popular Name: (3S)-1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(4-chloro-6-methoxy-1,3,5…

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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) 2.19 5.09 -42.68 1 6 1 56 258.733 3 ↓
Mid Mid (pH 6-8) 2.19 2.69 -5.81 0 6 0 54 257.725 3 ↓

Analogs

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Popular Name: (3S)-1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(4-chloro-6-propoxy-1,3,5…

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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) 3.07 6.78 -42.39 1 6 1 56 286.787 5 ↓
Mid Mid (pH 6-8) 3.07 4.41 -4.88 0 6 0 54 285.779 5 ↓

Analogs

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Popular Name: (3R)-1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(4-chloro-6-propoxy-1,3,5…

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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) 3.07 6.81 -42.12 1 6 1 56 286.787 5 ↓
Mid Mid (pH 6-8) 3.07 4.44 -5.22 0 6 0 54 285.779 5 ↓

Analogs

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Popular Name: (3S)-1-(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(4-chloro-6-isopropoxy-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.93 6.91 -42.55 1 6 1 56 286.787 4 ↓
Mid Mid (pH 6-8) 2.93 4.54 -5.3 0 6 0 54 285.779 4 ↓

Analogs

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Popular Name: (3R)-1-(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(4-chloro-6-isopropoxy-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.93 6.94 -42.3 1 6 1 56 286.787 4 ↓
Mid Mid (pH 6-8) 2.93 4.56 -5.68 0 6 0 54 285.779 4 ↓

Analogs

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Popular Name: (3S)-1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(4-chloro-6-ethoxy-1,3,5-…

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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) 2.57 5.98 -42.7 1 6 1 56 272.76 4 ↓
Mid Mid (pH 6-8) 2.57 3.61 -5.19 0 6 0 54 271.752 4 ↓

Analogs

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Popular Name: (3R)-1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(4-chloro-6-ethoxy-1,3,5-…

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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) 2.57 6.01 -42.43 1 6 1 56 272.76 4 ↓
Mid Mid (pH 6-8) 2.57 3.63 -5.52 0 6 0 54 271.752 4 ↓

Analogs

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Popular Name: (3R)-1-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(4,6-dichloro-1,3,5-triaz…

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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) 2.41 8.17 -42.36 1 5 1 46 263.152 2 ↓
Mid Mid (pH 6-8) 2.41 5.78 -3.65 0 5 0 45 262.144 2 ↓

Analogs

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Popular Name: (3S)-1-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(4,6-dichloro-1,3,5-triaz…

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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) 2.41 8.2 -42.08 1 5 1 46 263.152 2 ↓
Mid Mid (pH 6-8) 2.41 5.79 -4.04 0 5 0 45 262.144 2 ↓

Analogs

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Popular Name: 4-chloro-6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-1,3,5-triazin-2-amine 4-chloro-6-[(3S)-3-(dimethylamin…

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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 10.85 -42.39 1 6 1 50 271.776 3 ↓
Mid Mid (pH 6-8) 2.37 8.48 -6.56 0 6 0 48 270.768 3 ↓

Analogs

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Popular Name: 4-chloro-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-1,3,5-triazin-2-amine 4-chloro-6-[(3R)-3-(dimethylamin…

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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 10.88 -42.05 1 6 1 50 271.776 3 ↓
Mid Mid (pH 6-8) 2.37 8.51 -7.03 0 6 0 48 270.768 3 ↓

Analogs

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Popular Name: 4-chloro-6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N-diethyl-1,3,5-triazin-2-amine 4-chloro-6-[(3S)-3-(dimethylamin…

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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) 3.12 12.75 -41.75 1 6 1 50 299.83 5 ↓
Mid Mid (pH 6-8) 3.12 10.38 -6.44 0 6 0 48 298.822 5 ↓

Parameters Provided:

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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 = 13091 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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