UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11952680
11952680
11961079
11961079

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Popular Name: 3-[3-(dibenzylamino)propoxy]benzoic 3-[3-(dibenzylamino)propoxy]benzoic

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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) 4.98 1.93 -79.41 1 4 0 54 375.468 10 ↓

Analogs

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Popular Name: (2R)-1-[(3,4-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[(3,4-dimethoxyphenyl)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) 4.39 11.07 -56.34 2 5 1 52 440.535 11 ↓

Analogs

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Popular Name: (2S)-1-[(3,4-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[(3,4-dimethoxyphenyl)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) 4.39 11.36 -56.28 2 5 1 52 440.535 11 ↓

Analogs

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Popular Name: (2S)-1-(4-chlorophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]propan-2-ol (2S)-1-(4-chlorophenoxy)-3-[(3,4…

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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) 4.67 11.09 -57.71 2 5 1 52 460.953 11 ↓

Analogs

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Popular Name: (2R)-1-(4-chlorophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]propan-2-ol (2R)-1-(4-chlorophenoxy)-3-[(3,4…

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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) 4.67 10.87 -52.58 2 5 1 52 460.953 11 ↓

Analogs

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Popular Name: (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[benzyl-[(3-methoxyphenyl…

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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) 4.21 9.53 -44.07 2 4 1 43 378.492 10 ↓
Hi High (pH 8-9.5) 4.21 7.87 -9.6 1 4 0 42 377.484 10 ↓

Analogs

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Popular Name: (2R)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[benzyl-[(3-methoxyphenyl…

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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) 4.21 10.37 -40.3 2 4 1 43 378.492 10 ↓
Hi High (pH 8-9.5) 4.21 8.19 -8.33 1 4 0 42 377.484 10 ↓

Analogs

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Popular Name: (2R)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2R)-1-[benzyl-[(3-methoxyphenyl…

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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) 4.27 9.26 -42.66 2 5 1 52 408.518 11 ↓
Hi High (pH 8-9.5) 4.27 7.32 -9.39 1 5 0 51 407.51 11 ↓

Analogs

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Popular Name: (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2S)-1-[benzyl-[(3-methoxyphenyl…

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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) 4.27 9.91 -47.01 2 5 1 52 408.518 11 ↓
Hi High (pH 8-9.5) 4.27 7.82 -11.16 1 5 0 51 407.51 11 ↓

Analogs

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Popular Name: (2R)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[benzyl-[(3-methoxyphenyl…

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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) 4.61 11.08 -45.48 2 4 1 43 392.519 10 ↓
Hi High (pH 8-9.5) 4.61 8.88 -9.69 1 4 0 42 391.511 10 ↓

Analogs

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Popular Name: (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[benzyl-[(3-methoxyphenyl…

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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) 4.61 11.02 -47.31 2 4 1 43 392.519 10 ↓
Hi High (pH 8-9.5) 4.61 8.97 -7.77 1 4 0 42 391.511 10 ↓

Analogs

37847340
37847340
37847341
37847341
35717890
35717890
35717892
35717892

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Popular Name: (2S)-1-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[(4-fluorophenyl)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) 4.37 10.14 -53.17 2 4 1 43 396.482 10 ↓
Hi High (pH 8-9.5) 4.37 8.05 -10.88 1 4 0 42 395.474 10 ↓

Analogs

37847340
37847340
37847341
37847341
35717890
35717890
35717892
35717892

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[(4-fluorophenyl)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) 4.37 10.39 -48.96 2 4 1 43 396.482 10 ↓
Hi High (pH 8-9.5) 4.37 8.07 -11.4 1 4 0 42 395.474 10 ↓

Analogs

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Popular Name: (2R)-1-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[(4-fluorophenyl)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) 4.77 10.79 -46.05 2 4 1 43 410.509 10 ↓
Hi High (pH 8-9.5) 4.77 8.86 -9.14 1 4 0 42 409.501 10 ↓

Analogs

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Popular Name: (2S)-1-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[(4-fluorophenyl)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) 4.77 11.09 -53.62 2 4 1 43 410.509 10 ↓
Hi High (pH 8-9.5) 4.77 9.04 -8.49 1 4 0 42 409.501 10 ↓

Analogs

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Popular Name: (2S)-1-(4-chlorophenoxy)-3-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol (2S)-1-(4-chlorophenoxy)-3-[(4-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) 5.05 10.12 -51.65 2 4 1 43 430.927 10 ↓
Hi High (pH 8-9.5) 5.05 8.46 -10.4 1 4 0 42 429.919 10 ↓

Analogs

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Popular Name: (2R)-1-(4-chlorophenoxy)-3-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol (2R)-1-(4-chlorophenoxy)-3-[(4-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) 5.05 10.92 -50.91 2 4 1 43 430.927 10 ↓
Hi High (pH 8-9.5) 5.05 8.6 -10.91 1 4 0 42 429.919 10 ↓

Analogs

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Popular Name: (2S)-1-[(2,4-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[(2,4-dimethylphenyl)meth…

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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) 5.17 11.76 -43.35 2 3 1 34 394.51 9 ↓
Hi High (pH 8-9.5) 5.17 10.29 -7.63 1 3 0 33 393.502 9 ↓

Analogs

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Popular Name: (2R)-1-[(2,4-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[(2,4-dimethylphenyl)meth…

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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) 5.17 12.55 -42.52 2 3 1 34 394.51 9 ↓
Hi High (pH 8-9.5) 5.17 11.01 -7.32 1 3 0 33 393.502 9 ↓

Analogs

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Popular Name: (2S)-1-(4-chlorophenoxy)-3-[(2,4-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]propan-2-ol (2S)-1-(4-chlorophenoxy)-3-[(2,4…

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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) 5.84 12.28 -45.4 2 3 1 34 428.955 9 ↓
Hi High (pH 8-9.5) 5.84 10.81 -7.52 1 3 0 33 427.947 9 ↓

Analogs

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Popular Name: (2R)-1-(4-chlorophenoxy)-3-[(2,4-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]propan-2-ol (2R)-1-(4-chlorophenoxy)-3-[(2,4…

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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) 5.84 13.07 -44.69 2 3 1 34 428.955 9 ↓
Hi High (pH 8-9.5) 5.84 11.53 -7.3 1 3 0 33 427.947 9 ↓

Analogs

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Popular Name: (2S)-1-[benzyl(p-tolylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (2S)-1-[benzyl(p-tolylmethyl)ami…

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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) 4.68 10.19 -45.17 2 4 1 43 392.519 10 ↓

Analogs

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Popular Name: (2R)-1-[benzyl(p-tolylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (2R)-1-[benzyl(p-tolylmethyl)ami…

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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) 4.68 10.99 -44.7 2 4 1 43 392.519 10 ↓

Analogs

37848096
37848096
37848097
37848097

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Popular Name: (2S)-1-[benzyl(p-tolylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[benzyl(p-tolylmethyl)ami…

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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) 5.03 11.66 -43.25 2 3 1 34 376.52 9 ↓

Analogs

37848096
37848096
37848097
37848097

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Popular Name: (2R)-1-[benzyl(p-tolylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[benzyl(p-tolylmethyl)ami…

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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) 5.03 12.45 -42.89 2 3 1 34 376.52 9 ↓

Analogs

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Popular Name: (2S)-1-[(4-fluorophenyl)methyl-(p-tolylmethyl)amino]-3-phenoxy-propan-2-ol (2S)-1-[(4-fluorophenyl)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) 4.79 10.98 -48.7 2 3 1 34 380.483 9 ↓

Analogs

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Popular Name: (2R)-1-[(4-fluorophenyl)methyl-(p-tolylmethyl)amino]-3-phenoxy-propan-2-ol (2R)-1-[(4-fluorophenyl)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) 4.79 11.77 -48.87 2 3 1 34 380.483 9 ↓

Analogs

37847342
37847342
37847343
37847343

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Popular Name: (2S)-1-[(4-fluorophenyl)methyl-(p-tolylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[(4-fluorophenyl)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) 5.19 12.27 -52.02 2 3 1 34 394.51 9 ↓

Analogs

37847342
37847342
37847343
37847343

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Popular Name: (2R)-1-[(4-fluorophenyl)methyl-(p-tolylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[(4-fluorophenyl)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) 5.19 12.56 -43.67 2 3 1 34 394.51 9 ↓

Analogs

12594989
12594989
12594994
12594994

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Popular Name: (2S)-1-[benzyl-[(4-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[benzyl-[(4-methoxyphenyl…

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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) 4.23 9.53 -45.93 2 4 1 43 378.492 10 ↓

Analogs

12594989
12594989
12594994
12594994

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Popular Name: (2R)-1-[benzyl-[(4-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[benzyl-[(4-methoxyphenyl…

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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) 4.23 10.33 -45.73 2 4 1 43 378.492 10 ↓

Analogs

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Popular Name: (2S)-1-[benzyl-[(4-methoxyphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2S)-1-[benzyl-[(4-methoxyphenyl…

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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) 4.29 8.82 -47.72 2 5 1 52 408.518 11 ↓

Analogs

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Popular Name: (2R)-1-[benzyl-[(4-methoxyphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2R)-1-[benzyl-[(4-methoxyphenyl…

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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) 4.29 9.61 -47.49 2 5 1 52 408.518 11 ↓

Analogs

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Popular Name: (2R)-1-[benzyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[benzyl-[(4-methoxyphenyl…

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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) 4.63 11.09 -45.72 2 4 1 43 392.519 10 ↓

Analogs

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Popular Name: (2S)-1-[benzyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[benzyl-[(4-methoxyphenyl…

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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) 4.63 11.02 -48.9 2 4 1 43 392.519 10 ↓

Analogs

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Popular Name: (2S)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[(4-fluorophenyl)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) 4.40 10.14 -55.62 2 4 1 43 396.482 10 ↓

Analogs

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Popular Name: (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[(4-fluorophenyl)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) 4.40 10.4 -51.72 2 4 1 43 396.482 10 ↓

Analogs

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Popular Name: (2S)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2S)-1-[(4-fluorophenyl)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) 4.45 9.95 -53.33 2 5 1 52 426.508 11 ↓

Analogs

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Popular Name: (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2R)-1-[(4-fluorophenyl)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) 4.45 9.72 -48.52 2 5 1 52 426.508 11 ↓

Analogs

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Popular Name: (2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[(4-fluorophenyl)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) 4.80 11.29 -49.53 2 4 1 43 410.509 10 ↓

Analogs

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Popular Name: (2S)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[(4-fluorophenyl)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) 4.80 11.47 -51.56 2 4 1 43 410.509 10 ↓

Analogs

37847326
37847326
37847327
37847327

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Popular Name: (2S)-1-[benzyl-[(4-fluorophenyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[benzyl-[(4-fluorophenyl)…

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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 11.04 -52.53 2 3 1 34 366.456 9 ↓
Hi High (pH 8-9.5) 4.34 8.83 -9.13 1 3 0 33 365.448 9 ↓

Analogs

37847326
37847326
37847327
37847327

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Popular Name: (2R)-1-[benzyl-[(4-fluorophenyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[benzyl-[(4-fluorophenyl)…

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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 11.09 -48.83 2 3 1 34 366.456 9 ↓
Hi High (pH 8-9.5) 4.34 8.7 -9.4 1 3 0 33 365.448 9 ↓

Analogs

14238164
14238164
14238167
14238167

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Popular Name: (2R)-1-[benzyl-[(4-fluorophenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2R)-1-[benzyl-[(4-fluorophenyl)…

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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) 4.40 10.39 -50.64 2 4 1 43 396.482 10 ↓
Hi High (pH 8-9.5) 4.40 8.23 -9.42 1 4 0 42 395.474 10 ↓

Analogs

14238164
14238164
14238167
14238167

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[benzyl-[(4-fluorophenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2S)-1-[benzyl-[(4-fluorophenyl)…

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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) 4.40 10.42 -46.6 2 4 1 43 396.482 10 ↓
Hi High (pH 8-9.5) 4.40 8.47 -8.49 1 4 0 42 395.474 10 ↓

Analogs

37847342
37847342
37847343
37847343

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Popular Name: (2R)-1-[benzyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[benzyl-[(4-fluorophenyl)…

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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) 4.74 11.85 -48.83 2 3 1 34 380.483 9 ↓
Hi High (pH 8-9.5) 4.74 9.69 -8.3 1 3 0 33 379.475 9 ↓

Analogs

37847342
37847342
37847343
37847343

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[benzyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[benzyl-[(4-fluorophenyl)…

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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) 4.74 11.79 -52.08 2 3 1 34 380.483 9 ↓
Hi High (pH 8-9.5) 4.74 9.74 -8.12 1 3 0 33 379.475 9 ↓

Analogs

37847326
37847326
37847327
37847327

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Popular Name: (2R)-1-[bis[(4-fluorophenyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[bis[(4-fluorophenyl)meth…

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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) 4.50 11.31 -52.57 2 3 1 34 384.446 9 ↓
Hi High (pH 8-9.5) 4.50 9.27 -8.2 1 3 0 33 383.438 9 ↓

Analogs

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Popular Name: (2S)-1-[bis[(4-fluorophenyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[bis[(4-fluorophenyl)meth…

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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) 4.50 11.11 -59.18 2 3 1 34 384.446 9 ↓
Hi High (pH 8-9.5) 4.50 9.09 -9.49 1 3 0 33 383.438 9 ↓

Analogs

37847362
37847362
37847363
37847363

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Popular Name: (2S)-1-[bis[(4-fluorophenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol (2S)-1-[bis[(4-fluorophenyl)meth…

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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) 5.18 11.54 -51.73 2 3 1 34 418.891 9 ↓
Hi High (pH 8-9.5) 5.18 8.76 -9.13 1 3 0 33 417.883 9 ↓

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 = 42470 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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