UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(furan-2-yl)morpholine 3-(furan-2-yl)morpholine

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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) 0.78 1.9 -36.28 2 3 1 39 154.189 1 ↓

Analogs

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Popular Name: 3-(furan-2-yl)morpholine 3-(furan-2-yl)morpholine

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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) 0.78 1.91 -36.24 2 3 1 39 154.189 1 ↓

Analogs

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Popular Name: (5S)-5-(2-furyl)-3,3-dimethyl-morpholine (5S)-5-(2-furyl)-3,3-dimethyl-mo…

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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) 1.59 3.09 -31.63 2 3 1 39 182.243 1 ↓

Analogs

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Popular Name: (5R)-5-(2-furyl)-3,3-dimethyl-morpholine (5R)-5-(2-furyl)-3,3-dimethyl-mo…

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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) 1.59 3.09 -31.67 2 3 1 39 182.243 1 ↓

Analogs

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Popular Name: [(2S,3S)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine [(2S,3S)-4-methyl-3-(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) 0.04 0.48 -42.15 3 4 1 53 211.285 2 ↓
Hi High (pH 8-9.5) 0.04 0.1 -4.43 2 4 0 52 210.277 2 ↓
Lo Low (pH 4.5-6) 0.04 2.9 -102.54 4 4 2 54 212.293 2 ↓

Analogs

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Popular Name: [(2S,3R)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine [(2S,3R)-4-methyl-3-(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) 0.04 0.52 -40.35 3 4 1 53 211.285 2 ↓
Hi High (pH 8-9.5) 0.04 0.15 -4.86 2 4 0 52 210.277 2 ↓
Lo Low (pH 4.5-6) 0.04 2.87 -96.24 4 4 2 54 212.293 2 ↓

Analogs

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Popular Name: [(2R,3S)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine [(2R,3S)-4-methyl-3-(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) 0.04 0.49 -40.34 3 4 1 53 211.285 2 ↓
Hi High (pH 8-9.5) 0.04 0.04 -4.99 2 4 0 52 210.277 2 ↓
Lo Low (pH 4.5-6) 0.04 2.81 -96.3 4 4 2 54 212.293 2 ↓

Analogs

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Popular Name: [(2R,3R)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine [(2R,3R)-4-methyl-3-(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) 0.04 0.44 -42.53 3 4 1 53 211.285 2 ↓
Hi High (pH 8-9.5) 0.04 -0.02 -5.59 2 4 0 52 210.277 2 ↓
Lo Low (pH 4.5-6) 0.04 2.85 -103.13 4 4 2 54 212.293 2 ↓

Analogs

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Popular Name: [(2R,3R)-3-(2-furyl)-4-methyl-morpholin-2-yl]methanamine [(2R,3R)-3-(2-furyl)-4-methyl-mo…

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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) -0.18 -0.37 -42.4 3 4 1 53 197.258 2 ↓
Hi High (pH 8-9.5) -0.18 -0.83 -5.27 2 4 0 52 196.25 2 ↓
Lo Low (pH 4.5-6) -0.18 2.03 -102.69 4 4 2 54 198.266 2 ↓

Analogs

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Popular Name: [(2S,3R)-3-(2-furyl)-4-methyl-morpholin-2-yl]methanamine [(2S,3R)-3-(2-furyl)-4-methyl-mo…

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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) -0.18 -0.28 -40.29 3 4 1 53 197.258 2 ↓
Hi High (pH 8-9.5) -0.18 -0.66 -4.57 2 4 0 52 196.25 2 ↓
Lo Low (pH 4.5-6) -0.18 2.06 -96.15 4 4 2 54 198.266 2 ↓

Analogs

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Popular Name: [(2R,3R)-3-(5-bromo-2-furyl)-4-methyl-morpholin-2-yl]methanamine [(2R,3R)-3-(5-bromo-2-furyl)-4-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) 0.75 0.35 -44.52 3 4 1 53 276.154 2 ↓
Hi High (pH 8-9.5) 0.75 -0.11 -5.5 2 4 0 52 275.146 2 ↓
Lo Low (pH 4.5-6) 0.75 2.76 -107.75 4 4 2 54 277.162 2 ↓

Analogs

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Popular Name: [(2S,3R)-3-(5-bromo-2-furyl)-4-methyl-morpholin-2-yl]methanamine [(2S,3R)-3-(5-bromo-2-furyl)-4-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) 0.75 0.45 -42.11 3 4 1 53 276.154 2 ↓
Hi High (pH 8-9.5) 0.75 0.07 -4.32 2 4 0 52 275.146 2 ↓
Lo Low (pH 4.5-6) 0.75 2.78 -100.37 4 4 2 54 277.162 2 ↓

Analogs

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Popular Name: 1-[(2R,3R)-3-(2-furyl)-4-methyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3R)-3-(2-furyl)-4-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) 0.80 1.5 -37.54 2 4 1 42 211.285 3 ↓
Hi High (pH 8-9.5) 0.80 -0 -4.98 1 4 0 38 210.277 3 ↓
Lo Low (pH 4.5-6) 0.80 3.89 -98.39 3 4 2 43 212.293 3 ↓

Analogs

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Popular Name: 1-[(2S,3R)-3-(2-furyl)-4-methyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3R)-3-(2-furyl)-4-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) 0.80 1.58 -35.4 2 4 1 42 211.285 3 ↓
Hi High (pH 8-9.5) 0.80 0.14 -4.29 1 4 0 38 210.277 3 ↓
Lo Low (pH 4.5-6) 0.80 3.92 -91.61 3 4 2 43 212.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-3-(2-furyl)-4-methyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-3-(2-furyl)-4-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) 0.80 1.54 -35.41 2 4 1 42 211.285 3 ↓
Hi High (pH 8-9.5) 0.80 0.03 -4.47 1 4 0 38 210.277 3 ↓
Lo Low (pH 4.5-6) 0.80 3.88 -91.58 3 4 2 43 212.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-3-(2-furyl)-4-methyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-3-(2-furyl)-4-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) 0.80 1.53 -37.12 2 4 1 42 211.285 3 ↓
Hi High (pH 8-9.5) 0.80 0.09 -3.93 1 4 0 38 210.277 3 ↓
Lo Low (pH 4.5-6) 0.80 3.94 -97.8 3 4 2 43 212.293 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2S,3S)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine N-methyl-1-[(2S,3S)-4-methyl-3-(…

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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) 1.02 2.36 -37.35 2 4 1 42 225.312 3 ↓
Hi High (pH 8-9.5) 1.02 0.86 -5.35 1 4 0 38 224.304 3 ↓
Lo Low (pH 4.5-6) 1.02 4.77 -98.26 3 4 2 43 226.32 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2S,3R)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine N-methyl-1-[(2S,3R)-4-methyl-3-(…

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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) 1.02 2.4 -35.46 2 4 1 42 225.312 3 ↓
Hi High (pH 8-9.5) 1.02 0.91 -4.61 1 4 0 38 224.304 3 ↓
Lo Low (pH 4.5-6) 1.02 4.75 -91.74 3 4 2 43 226.32 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2R,3S)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine N-methyl-1-[(2R,3S)-4-methyl-3-(…

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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) 1.02 2.37 -35.47 2 4 1 42 225.312 3 ↓
Hi High (pH 8-9.5) 1.02 0.93 -4.55 1 4 0 38 224.304 3 ↓
Lo Low (pH 4.5-6) 1.02 4.69 -91.71 3 4 2 43 226.32 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2R,3R)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine N-methyl-1-[(2R,3R)-4-methyl-3-(…

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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) 1.02 2.31 -37.72 2 4 1 42 225.312 3 ↓
Hi High (pH 8-9.5) 1.02 0.89 -4.23 1 4 0 38 224.304 3 ↓
Lo Low (pH 4.5-6) 1.02 4.73 -98.8 3 4 2 43 226.32 3 ↓

Analogs

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Popular Name: 1-[(2R,3R)-3-(5-bromo-2-furyl)-4-methyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3R)-3-(5-bromo-2-furyl)-4…

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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) 1.73 2.23 -39.6 2 4 1 42 290.181 3 ↓
Hi High (pH 8-9.5) 1.73 0.72 -5.22 1 4 0 38 289.173 3 ↓
Lo Low (pH 4.5-6) 1.73 4.63 -103.5 3 4 2 43 291.189 3 ↓

Analogs

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Popular Name: 1-[(2S,3R)-3-(5-bromo-2-furyl)-4-methyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3R)-3-(5-bromo-2-furyl)-4…

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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) 1.73 2.31 -37.15 2 4 1 42 290.181 3 ↓
Hi High (pH 8-9.5) 1.73 0.88 -3.96 1 4 0 38 289.173 3 ↓
Lo Low (pH 4.5-6) 1.73 4.66 -95.82 3 4 2 43 291.189 3 ↓

Analogs

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Popular Name: 1-[(2R,3S)-3-(5-bromo-2-furyl)-4-methyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-3-(5-bromo-2-furyl)-4…

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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) 1.73 2.27 -37.18 2 4 1 42 290.181 3 ↓
Hi High (pH 8-9.5) 1.73 0.76 -4.03 1 4 0 38 289.173 3 ↓
Lo Low (pH 4.5-6) 1.73 4.61 -95.71 3 4 2 43 291.189 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-3-(5-bromo-2-furyl)-4-methyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-3-(5-bromo-2-furyl)-4…

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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) 1.73 2.27 -39.2 2 4 1 42 290.181 3 ↓
Hi High (pH 8-9.5) 1.73 0.82 -3.98 1 4 0 38 289.173 3 ↓
Lo Low (pH 4.5-6) 1.73 4.67 -102.89 3 4 2 43 291.189 3 ↓

Analogs

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Popular Name: N-[[(2R,3R)-3-(2-furyl)-4-methyl-morpholin-2-yl]methyl]ethanamine N-[[(2R,3R)-3-(2-furyl)-4-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) 0.82 2.35 -36.44 2 4 1 42 225.312 4 ↓
Hi High (pH 8-9.5) 0.82 0.93 -4.76 1 4 0 38 224.304 4 ↓
Lo Low (pH 4.5-6) 0.82 4.75 -98.49 3 4 2 43 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-3-(2-furyl)-4-methyl-morpholin-2-yl]methyl]ethanamine N-[[(2S,3R)-3-(2-furyl)-4-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) 0.82 2.43 -34.36 2 4 1 42 225.312 4 ↓
Hi High (pH 8-9.5) 0.82 1.08 -4.1 1 4 0 38 224.304 4 ↓
Lo Low (pH 4.5-6) 0.82 4.77 -91.8 3 4 2 43 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-3-(2-furyl)-4-methyl-morpholin-2-yl]methyl]ethanamine N-[[(2R,3S)-3-(2-furyl)-4-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) 0.82 2.4 -34.34 2 4 1 42 225.312 4 ↓
Hi High (pH 8-9.5) 0.82 0.96 -4.31 1 4 0 38 224.304 4 ↓
Lo Low (pH 4.5-6) 0.82 4.74 -91.75 3 4 2 43 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-3-(2-furyl)-4-methyl-morpholin-2-yl]methyl]ethanamine N-[[(2S,3S)-3-(2-furyl)-4-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) 0.82 2.39 -36.13 2 4 1 42 225.312 4 ↓
Hi High (pH 8-9.5) 0.82 1.03 -3.75 1 4 0 38 224.304 4 ↓
Lo Low (pH 4.5-6) 0.82 4.79 -98.05 3 4 2 43 226.32 4 ↓

Analogs

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Popular Name: [(2R,3R)-4-ethyl-3-(2-furyl)morpholin-2-yl]methanamine [(2R,3R)-4-ethyl-3-(2-furyl)morp…

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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 0.42 -42.34 3 4 1 53 211.285 3 ↓
Hi High (pH 8-9.5) 0.20 -0.04 -5.06 2 4 0 52 210.277 3 ↓
Lo Low (pH 4.5-6) 0.20 2.67 -102.01 4 4 2 54 212.293 3 ↓

Analogs

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Popular Name: [(2S,3R)-4-ethyl-3-(2-furyl)morpholin-2-yl]methanamine [(2S,3R)-4-ethyl-3-(2-furyl)morp…

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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 0.49 -40.19 3 4 1 53 211.285 3 ↓
Hi High (pH 8-9.5) 0.20 0.11 -4.36 2 4 0 52 210.277 3 ↓
Lo Low (pH 4.5-6) 0.20 2.7 -95.6 4 4 2 54 212.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-4-ethyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine [(2R,3R)-4-ethyl-3-(5-methyl-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) 0.42 1.24 -42.55 3 4 1 53 225.312 3 ↓
Hi High (pH 8-9.5) 0.42 0.86 -4.22 2 4 0 52 224.304 3 ↓
Lo Low (pH 4.5-6) 0.42 3.49 -102.41 4 4 2 54 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-4-ethyl-3-(5-methyl-2-furyl)morpholin-2-yl]methanamine [(2S,3R)-4-ethyl-3-(5-methyl-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) 0.42 1.31 -40.25 3 4 1 53 225.312 3 ↓
Hi High (pH 8-9.5) 0.42 0.85 -4.72 2 4 0 52 224.304 3 ↓
Lo Low (pH 4.5-6) 0.42 3.51 -95.67 4 4 2 54 226.32 3 ↓

Analogs

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Popular Name: [(2R,3R)-3-(5-bromo-2-furyl)-4-ethyl-morpholin-2-yl]methanamine [(2R,3R)-3-(5-bromo-2-furyl)-4-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.13 1.16 -44.56 3 4 1 53 290.181 3 ↓
Hi High (pH 8-9.5) 1.13 0.77 -3.94 2 4 0 52 289.173 3 ↓
Lo Low (pH 4.5-6) 1.13 3.4 -107.23 4 4 2 54 291.189 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-3-(5-bromo-2-furyl)-4-ethyl-morpholin-2-yl]methanamine [(2S,3R)-3-(5-bromo-2-furyl)-4-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.13 1.22 -42.01 3 4 1 53 290.181 3 ↓
Hi High (pH 8-9.5) 1.13 0.76 -4.16 2 4 0 52 289.173 3 ↓
Lo Low (pH 4.5-6) 1.13 3.43 -99.95 4 4 2 54 291.189 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3R)-4-ethyl-3-(2-furyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3R)-4-ethyl-3-(2-furyl)mo…

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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) 1.18 2.3 -37.46 2 4 1 42 225.312 4 ↓
Hi High (pH 8-9.5) 1.18 0.86 -3.72 1 4 0 38 224.304 4 ↓
Lo Low (pH 4.5-6) 1.18 4.55 -97.55 3 4 2 43 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3R)-4-ethyl-3-(2-furyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3R)-4-ethyl-3-(2-furyl)mo…

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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) 1.18 2.37 -35.31 2 4 1 42 225.312 4 ↓
Hi High (pH 8-9.5) 1.18 0.87 -4.27 1 4 0 38 224.304 4 ↓
Lo Low (pH 4.5-6) 1.18 4.58 -91.06 3 4 2 43 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-3-(2-furyl)-4-propyl-morpholin-2-yl]methanamine [(2R,3R)-3-(2-furyl)-4-propyl-mo…

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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) 0.70 1.19 -42.35 3 4 1 53 225.312 4 ↓
Hi High (pH 8-9.5) 0.70 0.72 -4.86 2 4 0 52 224.304 4 ↓
Lo Low (pH 4.5-6) 0.70 3.41 -103.37 4 4 2 54 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-3-(2-furyl)-4-propyl-morpholin-2-yl]methanamine [(2S,3R)-3-(2-furyl)-4-propyl-mo…

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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) 0.70 1.24 -40.13 3 4 1 53 225.312 4 ↓
Hi High (pH 8-9.5) 0.70 0.86 -4.24 2 4 0 52 224.304 4 ↓
Lo Low (pH 4.5-6) 0.70 3.42 -96.81 4 4 2 54 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-3-(2-furyl)-4-isopropyl-morpholin-2-yl]methanamine [(2R,3R)-3-(2-furyl)-4-isopropyl…

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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 0.96 -42.31 3 4 1 53 225.312 3 ↓
Hi High (pH 8-9.5) 0.49 0.5 -4.94 2 4 0 52 224.304 3 ↓
Lo Low (pH 4.5-6) 0.49 3.14 -100.17 4 4 2 54 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-3-(2-furyl)-4-isopropyl-morpholin-2-yl]methanamine [(2S,3R)-3-(2-furyl)-4-isopropyl…

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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 0.87 -40.02 3 4 1 53 225.312 3 ↓
Hi High (pH 8-9.5) 0.49 0.48 -4.25 2 4 0 52 224.304 3 ↓
Lo Low (pH 4.5-6) 0.49 3 -94.37 4 4 2 54 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-3-(2-furyl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3R)-3-(2-furyl)-4-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) 1.47 2.88 -35.6 2 4 1 42 239.339 4 ↓
Hi High (pH 8-9.5) 1.47 1.61 -4.74 1 4 0 38 238.331 4 ↓
Lo Low (pH 4.5-6) 1.47 5.27 -97.35 3 4 2 43 240.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-3-(2-furyl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3R)-3-(2-furyl)-4-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) 1.47 2.96 -32.95 2 4 1 42 239.339 4 ↓
Hi High (pH 8-9.5) 1.47 1.77 -4.03 1 4 0 38 238.331 4 ↓
Lo Low (pH 4.5-6) 1.47 5.31 -91.05 3 4 2 43 240.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-3-(2-furyl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3S)-3-(2-furyl)-4-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) 1.47 2.92 -33.03 2 4 1 42 239.339 4 ↓
Hi High (pH 8-9.5) 1.47 1.64 -4.22 1 4 0 38 238.331 4 ↓
Lo Low (pH 4.5-6) 1.47 5.26 -90.89 3 4 2 43 240.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-3-(2-furyl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3S)-3-(2-furyl)-4-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) 1.47 2.92 -34.41 2 4 1 42 239.339 4 ↓
Hi High (pH 8-9.5) 1.47 1.72 -3.66 1 4 0 38 238.331 4 ↓
Lo Low (pH 4.5-6) 1.47 5.31 -97.72 3 4 2 43 240.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3S)-4-methyl-3-(5-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) 1.69 3.73 -34.61 2 4 1 42 253.366 4 ↓
Hi High (pH 8-9.5) 1.69 2.45 -5.05 1 4 0 38 252.358 4 ↓
Lo Low (pH 4.5-6) 1.69 6.14 -97.27 3 4 2 43 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3R)-4-methyl-3-(5-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) 1.69 3.78 -32.99 2 4 1 42 253.366 4 ↓
Hi High (pH 8-9.5) 1.69 2.52 -4.34 1 4 0 38 252.358 4 ↓
Lo Low (pH 4.5-6) 1.69 6.13 -90.95 3 4 2 43 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3S)-4-methyl-3-(5-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) 1.69 3.74 -32.94 2 4 1 42 253.366 4 ↓
Hi High (pH 8-9.5) 1.69 2.55 -4.27 1 4 0 38 252.358 4 ↓
Lo Low (pH 4.5-6) 1.69 6.06 -90.98 3 4 2 43 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-4-methyl-3-(5-methyl-2-furyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3R)-4-methyl-3-(5-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) 1.69 3.7 -35.72 2 4 1 42 253.366 4 ↓
Hi High (pH 8-9.5) 1.69 2.5 -3.95 1 4 0 38 252.358 4 ↓
Lo Low (pH 4.5-6) 1.69 6.11 -98.61 3 4 2 43 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-4-methyl-3-(5-nitro-2-furyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3R)-4-methyl-3-(5-nitro-…

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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) 1.55 3.59 -46.6 2 7 1 88 284.336 5 ↓
Hi High (pH 8-9.5) 1.55 2.33 -10.35 1 7 0 83 283.328 5 ↓
Lo Low (pH 4.5-6) 1.55 6 -117.66 3 7 2 89 285.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-4-methyl-3-(5-nitro-2-furyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3R)-4-methyl-3-(5-nitro-…

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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) 1.55 3.67 -43.9 2 7 1 88 284.336 5 ↓
Hi High (pH 8-9.5) 1.55 2.47 -8.46 1 7 0 83 283.328 5 ↓
Lo Low (pH 4.5-6) 1.55 6.01 -109 3 7 2 89 285.344 5 ↓

Parameters Provided:

ring.id = 25164
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 = 25164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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