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Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-furylmethoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(2-furylmetho…

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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) 3.57 6.95 -46.93 2 3 1 39 266.748 5 ↓
Hi High (pH 8-9.5) 3.57 5.79 -6.13 1 3 0 34 265.74 5 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-furylmethoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(2-furylmetho…

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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) 3.57 6.96 -47.06 2 3 1 39 266.748 5 ↓
Hi High (pH 8-9.5) 3.57 5.79 -6.85 1 3 0 34 265.74 5 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-furylmethoxy)phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-(2-furylmetho…

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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) 3.95 7.81 -45.55 2 3 1 39 280.775 6 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-furylmethoxy)phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-(2-furylmetho…

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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) 3.95 7.8 -45.67 2 3 1 39 280.775 6 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-chloro-4-(2-furylmethoxy)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(2-furylme…

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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) 4.45 8.57 -46.45 2 3 1 39 294.802 7 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-chloro-4-(2-furylmethoxy)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(2-furylme…

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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) 4.45 8.56 -46.55 2 3 1 39 294.802 7 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-furylmethoxy)phenyl]ethanamine (1S)-1-[3-chloro-4-(2-furylmetho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 5.18 -52.56 3 3 1 50 252.721 4 ↓
Hi High (pH 8-9.5) 1.32 4.86 -7.33 2 3 0 48 251.713 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-furylmethoxy)phenyl]ethanamine (1R)-1-[3-chloro-4-(2-furylmetho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 5.19 -52.71 3 3 1 50 252.721 4 ↓
Hi High (pH 8-9.5) 1.32 4.89 -6.32 2 3 0 48 251.713 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-furylmethoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(2-furylmethox…

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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) 3.70 7.07 -46.9 2 3 1 39 311.199 5 ↓
Hi High (pH 8-9.5) 3.70 5.9 -5.99 1 3 0 34 310.191 5 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-furylmethoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(2-furylmethox…

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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) 3.70 7.07 -47.07 2 3 1 39 311.199 5 ↓
Hi High (pH 8-9.5) 3.70 5.9 -6.75 1 3 0 34 310.191 5 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-furylmethoxy)phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(2-furylmethox…

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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) 4.08 7.92 -45.48 2 3 1 39 325.226 6 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-furylmethoxy)phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-(2-furylmethox…

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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) 4.08 7.92 -45.6 2 3 1 39 325.226 6 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-bromo-4-(2-furylmethoxy)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(2-furylmet…

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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) 4.58 8.69 -46.37 2 3 1 39 339.253 7 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-bromo-4-(2-furylmethoxy)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(2-furylmet…

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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) 4.58 8.67 -46.5 2 3 1 39 339.253 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-bromo-4-(2-furylmethoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(2-furylmethox…

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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) 1.45 5.3 -52.54 3 3 1 50 297.172 4 ↓
Hi High (pH 8-9.5) 1.45 4.98 -7.2 2 3 0 48 296.164 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-furylmethoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(2-furylmethox…

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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) 1.45 5.3 -52.67 3 3 1 50 297.172 4 ↓
Hi High (pH 8-9.5) 1.45 5 -6.17 2 3 0 48 296.164 4 ↓

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) 2.33 4.71 -12.41 0 6 0 81 301.298 7 ↓

Analogs

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Popular Name: 5-[(3-bromophenoxy)methyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]furan-2-carboxamide 5-[(3-bromophenoxy)methyl]-N-[2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.83 4.68 -12.33 2 6 0 81 391.221 7 ↓

Analogs

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Popular Name: [5-chloro-2-(2-furylmethoxy)phenyl]methanamine [5-chloro-2-(2-furylmethoxy)phen…

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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) 2.64 4.48 -42 3 3 1 50 238.694 4 ↓
Hi High (pH 8-9.5) 2.64 4.07 -5.37 2 3 0 48 237.686 4 ↓

Analogs

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Popular Name: 5-chloro-2-(2-furylmethoxy)benzenecarbothioamide 5-chloro-2-(2-furylmethoxy)benze…

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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) 3.25 5.96 -14.57 2 3 0 48 267.737 4 ↓

Analogs

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Popular Name: 5-chloro-2-(2-furylmethoxy)benzonitrile 5-chloro-2-(2-furylmethoxy)benzo…

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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) 3.21 6.81 -10.2 0 3 0 46 233.654 3 ↓

Analogs

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Popular Name: 5-chloro-2-(2-furylmethoxy)benzamidine 5-chloro-2-(2-furylmethoxy)benza…

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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) 1.84 4.01 -31.67 4 4 1 74 251.693 4 ↓

Analogs

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Popular Name: 5-chloro-2-(2-furylmethoxy)-N'-hydroxy-benzamidine 5-chloro-2-(2-furylmethoxy)-N'-h…

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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) 1.77 2.9 -10.02 3 5 0 81 266.684 4 ↓

Analogs

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Popular Name: 2-chloro-6-(2-furylmethoxy)benzamidine 2-chloro-6-(2-furylmethoxy)benza…

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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) 1.81 3.69 -28.44 4 4 1 74 251.693 4 ↓

Analogs

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Popular Name: 2-chloro-6-(2-furylmethoxy)-N'-hydroxy-benzamidine 2-chloro-6-(2-furylmethoxy)-N'-h…

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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 2.56 -11.78 3 5 0 81 266.684 4 ↓

Analogs

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Popular Name: 2-chloro-6-(2-furylmethoxy)benzenecarbothioamide 2-chloro-6-(2-furylmethoxy)benze…

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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) 3.23 5.56 -16.72 2 3 0 48 267.737 4 ↓

Analogs

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Popular Name: 2-chloro-6-(2-furylmethoxy)benzonitrile 2-chloro-6-(2-furylmethoxy)benzo…

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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) 3.18 6.72 -12.68 0 3 0 46 233.654 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-(2-chloro-4-methoxy-phenoxy)ethyl]furan-2-carboxylic 5-[(1S)-1-(2-chloro-4-methoxy-ph…

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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) 3.68 1.5 -59.87 0 5 -1 72 295.698 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-(2-chloro-4-methoxy-phenoxy)ethyl]furan-2-carboxylic 5-[(1R)-1-(2-chloro-4-methoxy-ph…

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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) 3.68 1.45 -59.55 0 5 -1 72 295.698 5 ↓

Analogs

11961447
11961447
11961450
11961450

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Popular Name: 5-[(1R)-1-(4-bromo-2-chloro-phenoxy)ethyl]furan-2-carboxylic 5-[(1R)-1-(4-bromo-2-chloro-phen…

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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) 4.43 0.68 -56.92 0 4 -1 63 344.568 4 ↓

Analogs

11961447
11961447
11961450
11961450

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Popular Name: 5-[(1S)-1-(4-bromo-2-chloro-phenoxy)ethyl]furan-2-carboxylic 5-[(1S)-1-(4-bromo-2-chloro-phen…

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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) 4.43 0.74 -57.23 0 4 -1 63 344.568 4 ↓

Analogs

11993741
11993741
11993742
11993742

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Popular Name: 5-[(1R)-1-(2,4-ditert-butylphenoxy)ethyl]furan-2-carboxylic 5-[(1R)-1-(2,4-ditert-butylpheno…

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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) 6.36 4.26 -54.94 0 4 -1 63 343.443 6 ↓

Analogs

11993741
11993741
11993742
11993742

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Popular Name: 5-[(1S)-1-(2,4-ditert-butylphenoxy)ethyl]furan-2-carboxylic 5-[(1S)-1-(2,4-ditert-butylpheno…

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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) 6.36 4.31 -55.09 0 4 -1 63 343.443 6 ↓

Analogs

11959824
11959824
11959829
11959829

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Popular Name: 5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]furan-2-carboxylic 5-[(1R)-1-(2,4-dichlorophenoxy)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) 4.30 1.3 -57.1 0 4 -1 63 300.117 4 ↓

Analogs

11959824
11959824
11959829
11959829

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Popular Name: 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]furan-2-carboxylic 5-[(1S)-1-(2,4-dichlorophenoxy)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) 4.30 1.35 -57.42 0 4 -1 63 300.117 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-[4-(1,1-dimethylpropyl)phenoxy]ethyl]furan-2-carboxylic 5-[(1S)-1-[4-(1,1-dimethylpropyl…

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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) 5.05 2.94 -55.92 0 4 -1 63 301.362 6 ↓

Analogs

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Popular Name: 5-[(1R)-1-[4-(1,1-dimethylpropyl)phenoxy]ethyl]furan-2-carboxylic 5-[(1R)-1-[4-(1,1-dimethylpropyl…

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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) 5.05 2.9 -55.47 0 4 -1 63 301.362 6 ↓

Analogs

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Popular Name: 5-[(1R)-1-(4-bromo-2-tert-butyl-6-methyl-phenoxy)ethyl]furan-2-carboxylic 5-[(1R)-1-(4-bromo-2-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) 5.84 2.34 -52.52 0 4 -1 63 380.258 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-(4-bromo-2-tert-butyl-6-methyl-phenoxy)ethyl]furan-2-carboxylic 5-[(1S)-1-(4-bromo-2-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) 5.84 2.4 -53.03 0 4 -1 63 380.258 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-phenoxyethyl]furan-2-carboxylic 5-[(1R)-1-phenoxyethyl]furan-2-c…

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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) 3.02 1.54 -56.17 0 4 -1 63 231.227 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-phenoxyethyl]furan-2-carboxylic 5-[(1S)-1-phenoxyethyl]furan-2-c…

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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) 3.02 1.59 -56.37 0 4 -1 63 231.227 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-(4-bromo-2,5-dichloro-phenoxy)ethyl]furan-2-carboxylic 5-[(1R)-1-(4-bromo-2,5-dichloro-…

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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) 5.04 0.58 -53.96 0 4 -1 63 379.013 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-(4-bromo-2,5-dichloro-phenoxy)ethyl]furan-2-carboxylic 5-[(1S)-1-(4-bromo-2,5-dichloro-…

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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) 5.04 0.63 -54.18 0 4 -1 63 379.013 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-(3-methylphenoxy)ethyl]furan-2-carboxylic 5-[(1R)-1-(3-methylphenoxy)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) 3.45 1.86 -56.45 0 4 -1 63 245.254 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-(3-methylphenoxy)ethyl]furan-2-carboxylic 5-[(1S)-1-(3-methylphenoxy)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) 3.45 1.92 -56.68 0 4 -1 63 245.254 4 ↓

Analogs

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Popular Name: 2-methyl-5-[(4-propylphenoxy)methyl]furan-3-carboxylic 2-methyl-5-[(4-propylphenoxy)met…

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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) 3.87 9.48 -49.66 0 4 -1 63 273.308 6 ↓

Analogs

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Popular Name: 3-methyl-5-[(4-propylphenoxy)methyl]furan-2-carboxylic 3-methyl-5-[(4-propylphenoxy)met…

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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) 4.34 9.61 -50.82 0 4 -1 63 273.308 6 ↓

Analogs

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Popular Name: 5-[(4-propylphenoxy)methyl]furan-3-carboxylic 5-[(4-propylphenoxy)methyl]furan…

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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 8.76 -49.09 0 4 -1 63 259.281 6 ↓

Analogs

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Popular Name: 5-[(2-bromo-4-methyl-phenoxy)methyl]furan-2-carboxylic 5-[(2-bromo-4-methyl-phenoxy)met…

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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) 3.84 0.76 -54.04 0 4 -1 63 310.123 4 ↓

Analogs

11957081
11957081

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Popular Name: 5-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]furan-2-carboxylic 5-[(4-bromo-2-isopropyl-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) 4.81 1.63 -51.28 0 4 -1 63 352.204 5 ↓

Parameters Provided:

ring.id = 2838
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 = 2838 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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