UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1R)-1-[3-(cyclohexoxy)propylamino]ethyl]-4-methyl-phenol 2-[(1R)-1-[3-(cyclohexoxy)propyl…

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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 7.28 -39.88 3 3 1 46 292.443 7 ↓

Analogs

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Popular Name: 2-[(1S)-1-[3-(cyclohexoxy)propylamino]ethyl]-4-methyl-phenol 2-[(1S)-1-[3-(cyclohexoxy)propyl…

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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 7.3 -41.17 3 3 1 46 292.443 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-3-(cyclohexoxy)propan-1-amine N-[(1R)-1-(3-chlorophenyl)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) 4.87 10 -42.23 2 2 1 26 296.862 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(cyclohexoxy)propan-1-amine N-[(1S)-1-(3-chlorophenyl)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) 4.87 9.99 -44.19 2 2 1 26 296.862 7 ↓

Analogs

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Popular Name: (1R)-1-(3-chlorophenyl)-N-[3-(cyclohexoxy)propyl]propan-1-amine (1R)-1-(3-chlorophenyl)-N-[3-(cy…

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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 10.57 -42.72 2 2 1 26 310.889 8 ↓

Analogs

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Popular Name: (1S)-1-(3-chlorophenyl)-N-[3-(cyclohexoxy)propyl]propan-1-amine (1S)-1-(3-chlorophenyl)-N-[3-(cy…

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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 10.58 -45 2 2 1 26 310.889 8 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1R)-1-(4-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) 4.65 10.52 -44.31 2 2 1 26 308.511 8 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1S)-1-(4-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) 4.65 10.51 -44.31 2 2 1 26 308.511 8 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1R)-1-(2,5-d…

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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 10.67 -41.08 2 2 1 26 290.471 7 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1S)-1-(2,5-d…

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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 10.66 -41.15 2 2 1 26 290.471 7 ↓

Analogs

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Popular Name: (2S)-1-(cyclohexoxy)-3-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]propan-2-ol (2S)-1-(cyclohexoxy)-3-[[(1S)-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) 2.29 3.26 -41.36 4 4 1 66 294.415 8 ↓

Analogs

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Popular Name: (2S)-1-(cyclohexoxy)-3-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]propan-2-ol (2S)-1-(cyclohexoxy)-3-[[(1R)-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) 2.29 3.26 -41.36 4 4 1 66 294.415 8 ↓

Analogs

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Popular Name: (2R)-1-(cyclohexoxy)-3-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]propan-2-ol (2R)-1-(cyclohexoxy)-3-[[(1S)-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) 2.29 3.23 -41.36 4 4 1 66 294.415 8 ↓

Analogs

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Popular Name: (2R)-1-(cyclohexoxy)-3-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]propan-2-ol (2R)-1-(cyclohexoxy)-3-[[(1R)-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) 2.29 3.23 -41.4 4 4 1 66 294.415 8 ↓

Analogs

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Popular Name: 2-bromo-6-[[3-(cyclohexoxy)propylamino]methyl]phenol 2-bromo-6-[[3-(cyclohexoxy)propy…

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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) 4.15 6.6 -42.94 3 3 1 46 343.285 7 ↓
Hi High (pH 8-9.5) 4.15 7.44 -32.24 2 3 0 49 342.277 7 ↓

Analogs

37863395
37863395
37863396
37863396
37989869
37989869
37989870
37989870
37996941
37996941

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Popular Name: 3-(cyclohexoxy)-N-[(2,5-difluorophenyl)methyl]propan-1-amine 3-(cyclohexoxy)-N-[(2,5-difluoro…

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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 8.82 -41.43 2 2 1 26 284.37 7 ↓
Hi High (pH 8-9.5) 3.91 7.45 -3.4 1 2 0 21 283.362 7 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1S)-1-(4-iodophenyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1S)-1-(4-iod…

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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) 5.30 10.44 -43.5 2 2 1 26 388.313 7 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1R)-1-(4-iodophenyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1R)-1-(4-iod…

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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) 5.30 10.43 -43.53 2 2 1 26 388.313 7 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1R)-1-(m-tolyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1R)-1-(m-tol…

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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 10.01 -39.17 2 2 1 26 276.444 7 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1S)-1-(m-tolyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1S)-1-(m-tol…

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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 10 -39.13 2 2 1 26 276.444 7 ↓

Analogs

37984677
37984677
37984678
37984678
37984679
37984679
37984680
37984680

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Popular Name: (1S)-1-(3-bromophenyl)-N-[3-(cyclohexoxy)propyl]propan-1-amine (1S)-1-(3-bromophenyl)-N-[3-(cyc…

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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) 4.60 10.69 -41.17 2 2 1 26 355.34 8 ↓

Analogs

37984677
37984677
37984678
37984678
37984679
37984679
37984680
37984680

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Popular Name: (1R)-1-(3-bromophenyl)-N-[3-(cyclohexoxy)propyl]propan-1-amine (1R)-1-(3-bromophenyl)-N-[3-(cyc…

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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) 4.60 10.69 -41.15 2 2 1 26 355.34 8 ↓

Analogs

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

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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) 4.99 9.87 -44.08 2 2 1 26 314.852 7 ↓

Analogs

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

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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) 4.99 9.86 -43.85 2 2 1 26 314.852 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromo-4-fluoro-phenyl)ethyl]-3-(cyclohexoxy)propan-1-amine N-[(1S)-1-(3-bromo-4-fluoro-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) 5.12 10 -48.16 2 2 1 26 359.303 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromo-4-fluoro-phenyl)ethyl]-3-(cyclohexoxy)propan-1-amine N-[(1R)-1-(3-bromo-4-fluoro-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) 5.12 9.99 -48.15 2 2 1 26 359.303 7 ↓

Analogs

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Popular Name: (1S)-N-[3-(cyclohexoxy)propyl]-2-methyl-1-phenyl-propan-1-amine (1S)-N-[3-(cyclohexoxy)propyl]-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) 4.96 10.54 -37.68 2 2 1 26 290.471 8 ↓

Analogs

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Popular Name: (1R)-N-[3-(cyclohexoxy)propyl]-2-methyl-1-phenyl-propan-1-amine (1R)-N-[3-(cyclohexoxy)propyl]-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) 4.96 10.53 -37.66 2 2 1 26 290.471 8 ↓

Analogs

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Popular Name: 3-[(1S)-1-[3-(cyclohexoxy)propylamino]ethyl]benzonitrile 3-[(1S)-1-[3-(cyclohexoxy)propyl…

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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 9.73 -49.4 2 3 1 50 287.427 7 ↓
Hi High (pH 8-9.5) 3.95 8.62 -5.26 1 3 0 45 286.419 7 ↓

Analogs

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Popular Name: 3-[(1R)-1-[3-(cyclohexoxy)propylamino]ethyl]benzonitrile 3-[(1R)-1-[3-(cyclohexoxy)propyl…

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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 9.71 -49.44 2 3 1 50 287.427 7 ↓
Hi High (pH 8-9.5) 3.95 8.62 -5.81 1 3 0 45 286.419 7 ↓

Analogs

21811905
21811905

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Popular Name: 4-[[3-(cyclohexoxy)propylamino]methyl]benzamide 4-[[3-(cyclohexoxy)propylamino]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) 2.48 5.5 -53.33 4 4 1 69 291.415 8 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1S)-1-(2,4-dibromophenyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1S)-1-(2,4-d…

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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) 5.76 10.49 -43.27 2 2 1 26 420.209 7 ↓

Analogs

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Popular Name: 3-(cyclohexoxy)-N-[(1R)-1-(2,4-dibromophenyl)ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1R)-1-(2,4-d…

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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) 5.76 10.47 -43.07 2 2 1 26 420.209 7 ↓

Analogs

41690037
41690037
41690040
41690040
41690043
41690043
37847367
37847367
37847366
37847366

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Popular Name: benzyl-[(2R)-2-hydroxy-3-[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]propyl]-dimethyl-ammonium benzyl-[(2R)-2-hydroxy-3-[(1R,2R…

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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) 0.95 12.11 -36.09 1 3 1 29 348.551 8 ↓

Analogs

41690040
41690040
41690043
41690043
41690034
41690034
37847367
37847367
37847366
37847366

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Popular Name: benzyl-[(2R)-2-hydroxy-3-[(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]propyl]-dimethyl-ammonium benzyl-[(2R)-2-hydroxy-3-[(1R,2R…

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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) 0.95 11.84 -35.86 1 3 1 29 348.551 8 ↓

Analogs

41690043
41690043
41690034
41690034
41690037
41690037
37847367
37847367
37847366
37847366

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Popular Name: benzyl-[(2R)-2-hydroxy-3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]propyl]-dimethyl-ammonium benzyl-[(2R)-2-hydroxy-3-[(1R,2S…

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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) 0.95 11.57 -36.07 1 3 1 29 348.551 8 ↓

Analogs

41690034
41690034
41690037
41690037
41690040
41690040
37847367
37847367
37847366
37847366

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Popular Name: benzyl-[(2R)-2-hydroxy-3-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]propyl]-dimethyl-ammonium benzyl-[(2R)-2-hydroxy-3-[(1R,2S…

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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) 0.95 11.37 -36.17 1 3 1 29 348.551 8 ↓

Analogs

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Popular Name: (2S)-1-(cyclohexoxy)-3-[[(1R)-1-(p-tolyl)ethyl]amino]propan-2-ol (2S)-1-(cyclohexoxy)-3-[[(1R)-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) 3.75 7.01 -41.06 3 3 1 46 292.443 7 ↓

Analogs

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Popular Name: (2S)-1-(cyclohexoxy)-3-[[(1S)-1-(p-tolyl)ethyl]amino]propan-2-ol (2S)-1-(cyclohexoxy)-3-[[(1S)-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) 3.75 7.01 -41.06 3 3 1 46 292.443 7 ↓

Analogs

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Popular Name: (2R)-1-(cyclohexoxy)-3-[[(1R)-1-(p-tolyl)ethyl]amino]propan-2-ol (2R)-1-(cyclohexoxy)-3-[[(1R)-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) 3.75 6.98 -41.1 3 3 1 46 292.443 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclohexoxy)-3-[[(1S)-1-(p-tolyl)ethyl]amino]propan-2-ol (2R)-1-(cyclohexoxy)-3-[[(1S)-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) 3.75 6.99 -41.09 3 3 1 46 292.443 7 ↓

Analogs

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Popular Name: (2S)-1-(cyclohexoxy)-3-[(3,4-difluorophenyl)methylamino]propan-2-ol (2S)-1-(cyclohexoxy)-3-[(3,4-dif…

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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 5.86 -54.16 3 3 1 46 300.369 7 ↓
Hi High (pH 8-9.5) 3.00 4.5 -8.11 2 3 0 41 299.361 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclohexoxy)-3-[(3,4-difluorophenyl)methylamino]propan-2-ol (2R)-1-(cyclohexoxy)-3-[(3,4-dif…

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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 5.83 -54.35 3 3 1 46 300.369 7 ↓
Hi High (pH 8-9.5) 3.00 4.39 -8.23 2 3 0 41 299.361 7 ↓

Analogs

42256288
42256288
42256292
42256292
42256296
42256296

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-3-(cyclohexoxy)propan-2-ol (2S)-1-[[(1S)-1-(2-chlorophenyl)…

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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) 3.93 6.81 -40.63 3 3 1 46 312.861 7 ↓
Hi High (pH 8-9.5) 3.93 5.67 -4.4 2 3 0 41 311.853 7 ↓

Analogs

42256292
42256292
42256296
42256296
42256283
42256283

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-(cyclohexoxy)propan-2-ol (2S)-1-[[(1R)-1-(2-chlorophenyl)…

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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) 3.93 6.8 -40.33 3 3 1 46 312.861 7 ↓
Hi High (pH 8-9.5) 3.93 5.82 -4.76 2 3 0 41 311.853 7 ↓

Analogs

42256296
42256296
42256283
42256283
42256288
42256288

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-3-(cyclohexoxy)propan-2-ol (2R)-1-[[(1S)-1-(2-chlorophenyl)…

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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) 3.93 6.77 -40.64 3 3 1 46 312.861 7 ↓
Hi High (pH 8-9.5) 3.93 5.56 -4.6 2 3 0 41 311.853 7 ↓

Analogs

42256283
42256283
42256288
42256288
42256292
42256292

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-(cyclohexoxy)propan-2-ol (2R)-1-[[(1R)-1-(2-chlorophenyl)…

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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) 3.93 6.78 -40.58 3 3 1 46 312.861 7 ↓
Hi High (pH 8-9.5) 3.93 5.71 -4.77 2 3 0 41 311.853 7 ↓

Analogs

42256511
42256511
42256514
42256514
42256518
42256518

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(cyclohexoxy)propan-2-ol (2S)-1-[[(1S)-1-(4-chlorophenyl)…

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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 6.85 -45.44 3 3 1 46 312.861 7 ↓

Analogs

42256514
42256514
42256518
42256518
42256508
42256508

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(cyclohexoxy)propan-2-ol (2S)-1-[[(1R)-1-(4-chlorophenyl)…

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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 6.86 -45.38 3 3 1 46 312.861 7 ↓

Analogs

42256518
42256518
42256508
42256508
42256511
42256511

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(cyclohexoxy)propan-2-ol (2R)-1-[[(1S)-1-(4-chlorophenyl)…

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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 6.83 -45.39 3 3 1 46 312.861 7 ↓

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 = 19441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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