UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34981303
34981303
34981304
34981304
34981305
34981305
34981306
34981306

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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) 3.44 7.9 -47.02 2 4 1 56 266.361 6 ↓

Analogs

34981303
34981303
34981304
34981304
34981305
34981305
34981306
34981306

Draw Identity 99% 90% 80% 70%

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) 3.44 7.82 -46.98 2 4 1 56 266.361 6 ↓

Analogs

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Popular Name: (1S,2S)-2-[[ethyl(2-furylmethyl)amino]methyl]cyclohexanol (1S,2S)-2-[[ethyl(2-furylmethyl)…

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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 5.94 -33.11 2 3 1 38 238.351 5 ↓

Analogs

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Popular Name: (1S,2R)-2-[[ethyl(2-furylmethyl)amino]methyl]cyclohexanol (1S,2R)-2-[[ethyl(2-furylmethyl)…

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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 6.07 -31.78 2 3 1 38 238.351 5 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[[ethyl(2-furylmethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[ethyl(2-furylmeth…

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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 6.81 -34.8 2 3 1 38 252.378 5 ↓

Analogs

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Popular Name: (1S,2R,4R)-2-[[ethyl(2-furylmethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2R,4R)-2-[[ethyl(2-furylmeth…

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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 6.09 -32.71 2 3 1 38 252.378 5 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-ethyl-2-[[ethyl(2-furylmethyl)amino]methyl]cyclohexanol (1S,2S,4R)-4-ethyl-2-[[ethyl(2-f…

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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) 3.20 7.47 -34.16 2 3 1 38 266.405 6 ↓

Analogs

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Popular Name: (1S,2S,4S)-4-ethyl-2-[[ethyl(2-furylmethyl)amino]methyl]cyclohexanol (1S,2S,4S)-4-ethyl-2-[[ethyl(2-f…

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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) 3.20 7.62 -29.16 2 3 1 38 266.405 6 ↓

Analogs

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Popular Name: (1R,2S,4R)-4-ethyl-2-[[ethyl(2-furylmethyl)amino]methyl]cyclohexanol (1R,2S,4R)-4-ethyl-2-[[ethyl(2-f…

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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) 3.20 7.88 -30.4 2 3 1 38 266.405 6 ↓

Analogs

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Popular Name: (1R,2S,4S)-4-ethyl-2-[[ethyl(2-furylmethyl)amino]methyl]cyclohexanol (1R,2S,4S)-4-ethyl-2-[[ethyl(2-f…

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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) 3.20 7.12 -36.3 2 3 1 38 266.405 6 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[[ethyl(2-furylmethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[ethyl(2-furylmeth…

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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) 3.76 8.22 -34.86 2 3 1 38 280.432 7 ↓

Analogs

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Popular Name: (1S,2S,4S)-2-[[ethyl(2-furylmethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[[ethyl(2-furylmeth…

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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) 3.76 8.37 -29.18 2 3 1 38 280.432 7 ↓

Analogs

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Popular Name: (1R,2S,4R)-2-[[ethyl(2-furylmethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[[ethyl(2-furylmeth…

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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) 3.76 8.63 -30.49 2 3 1 38 280.432 7 ↓

Analogs

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Popular Name: (1R,2S,4S)-2-[[ethyl(2-furylmethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[[ethyl(2-furylmeth…

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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) 3.76 7.87 -36.39 2 3 1 38 280.432 7 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[ethyl(2-furylmethyl)amino]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[ethy…

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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) 3.85 8.22 -34.49 2 3 1 38 294.459 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-4-tert-butyl-2-[[ethyl(2-furylmethyl)amino]methyl]cyclohexanol (1S,2R,4R)-4-tert-butyl-2-[[ethy…

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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) 3.85 7.6 -37.46 2 3 1 38 294.459 6 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]ethanamine (1S)-1-cyclohexyl-N-[[5-(methyls…

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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) 4.11 9.07 -39.86 2 2 1 30 268.446 6 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]ethanamine (1R)-1-cyclohexyl-N-[[5-(methyls…

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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) 4.11 9.14 -39.77 2 2 1 30 268.446 6 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(5-ethyl-2-furyl)methyl]ethanamine (1S)-1-cyclohexyl-N-[(5-ethyl-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) 4.17 8.63 -37.38 2 2 1 30 236.379 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(5-ethyl-2-furyl)methyl]ethanamine (1R)-1-cyclohexyl-N-[(5-ethyl-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) 4.17 8.71 -37.19 2 2 1 30 236.379 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1S)-1-(5-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) 4.69 8.93 -34.12 2 2 1 30 250.406 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1S)-1-(5-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) 4.69 8.96 -32.35 2 2 1 30 250.406 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1R)-1-(5-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) 4.69 9.02 -32.61 2 2 1 30 250.406 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1R)-1-(5-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) 4.69 9.13 -33.14 2 2 1 30 250.406 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-(2-furylmethyl)propan-1-amine (1S)-1-cyclohexyl-N-(2-furylmeth…

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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) 3.91 7.77 -36.69 2 2 1 30 222.352 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-(2-furylmethyl)propan-1-amine (1R)-1-cyclohexyl-N-(2-furylmeth…

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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) 3.91 7.66 -35.99 2 2 1 30 222.352 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(5-methyl-2-furyl)methyl]propan-1-amine (1S)-1-cyclohexyl-N-[(5-methyl-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) 4.13 8.6 -36.65 2 2 1 30 236.379 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(5-methyl-2-furyl)methyl]propan-1-amine (1R)-1-cyclohexyl-N-[(5-methyl-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) 4.13 8.49 -36 2 2 1 30 236.379 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1S)-1-(2-furyl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1S)-1-(2-f…

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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) 4.47 8.11 -34.36 2 2 1 30 236.379 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1S)-1-(2-furyl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1S)-1-(2-f…

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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) 4.47 8.27 -33.46 2 2 1 30 236.379 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1R)-1-(2-furyl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1R)-1-(2-f…

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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) 4.47 8.2 -32.83 2 2 1 30 236.379 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1R)-1-(2-furyl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1R)-1-(2-f…

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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) 4.47 8.3 -33.43 2 2 1 30 236.379 5 ↓

Analogs

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Popular Name: (1S)-N-[(5-chloro-2-furyl)methyl]-1-cyclohexyl-propan-1-amine (1S)-N-[(5-chloro-2-furyl)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) 4.71 8.4 -40.13 2 2 1 30 256.797 5 ↓

Analogs

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Popular Name: (1R)-N-[(5-chloro-2-furyl)methyl]-1-cyclohexyl-propan-1-amine (1R)-N-[(5-chloro-2-furyl)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) 4.71 8.28 -39.14 2 2 1 30 256.797 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(5-nitro-2-furyl)methyl]propan-1-amine (1S)-1-cyclohexyl-N-[(5-nitro-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) 3.99 8.48 -51.9 2 5 1 76 267.349 6 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(5-nitro-2-furyl)methyl]propan-1-amine (1R)-1-cyclohexyl-N-[(5-nitro-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) 3.99 8.37 -50.37 2 5 1 76 267.349 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) 3.89 9.24 -44.45 2 4 1 56 294.415 7 ↓

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) 3.89 9.14 -43.48 2 4 1 56 294.415 7 ↓

Analogs

34981303
34981303
34981304
34981304
34981305
34981305
34981306
34981306

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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) 3.98 8.57 -46.42 2 4 1 56 280.388 7 ↓

Analogs

34981303
34981303
34981304
34981304
34981305
34981305
34981306
34981306

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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) 3.98 8.47 -45.22 2 4 1 56 280.388 7 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]propan-1-amine (1S)-1-cyclohexyl-N-[[5-(methyls…

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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) 4.64 9.83 -39.27 2 2 1 30 282.473 7 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]propan-1-amine (1R)-1-cyclohexyl-N-[[5-(methyls…

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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) 4.64 9.71 -38.58 2 2 1 30 282.473 7 ↓

Analogs

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Popular Name: 1-[2-[[cyclohexylmethyl(methyl)amino]methyl]-3-furyl]-N-methyl-methanamine 1-[2-[[cyclohexylmethyl(methyl)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) 2.77 8.57 -108.24 3 3 2 34 252.402 6 ↓

Analogs

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Popular Name: N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]-3-furyl]methyl]ethanamine N-[[2-[[cyclohexylmethyl(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) 3.15 9.42 -108.5 3 3 2 34 266.429 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]-3-furyl]methyl]propan-1-amine N-[[2-[[cyclohexylmethyl(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) 3.65 10.18 -110.42 3 3 2 34 280.456 8 ↓

Analogs

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Popular Name: N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]-3-furyl]methyl]propan-2-amine N-[[2-[[cyclohexylmethyl(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) 3.45 9.96 -106.64 3 3 2 34 280.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]-3-furyl]methyl]-2-methyl-propan-2-amine N-[[2-[[cyclohexylmethyl(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) 3.96 10.37 -106.17 3 3 2 34 294.483 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]-3-furyl]methyl]-2-methyl-propan-1-amine N-[[2-[[cyclohexylmethyl(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) 3.90 10.87 -110.91 3 3 2 34 294.483 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclohexylmethyl)-N-methyl-1-[5-methyl-4-(methylaminomethyl)-2-furyl]methanamine N-(cyclohexylmethyl)-N-methyl-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) 3.00 9.42 -92.57 3 3 2 34 266.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]-2-methyl-3-furyl]methyl]ethanamine N-[[5-[[cyclohexylmethyl(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) 3.37 10.25 -92.24 3 3 2 34 280.456 7 ↓

Parameters Provided:

ring.id = 22361
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 = 22361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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