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Popular Name: 5-(chloromethyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazole 5-(chloromethyl)-1-[[(2R)-tetrah…

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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) 0.37 2.86 -13.8 0 5 0 53 202.645 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazole 5-(chloromethyl)-1-[[(2S)-tetrah…

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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) 0.37 3.2 -10.96 0 5 0 53 202.645 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-[(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) 0.74 3.51 -12.25 0 5 0 53 216.672 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-[(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) 0.74 3.68 -13.01 0 5 0 53 216.672 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-[(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) 0.74 3.68 -13.28 0 5 0 53 216.672 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-[(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) 0.74 3.52 -11.1 0 5 0 53 216.672 3 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[[(2S)-tetrahydro…

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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) 0.48 3.89 -57.53 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.48 2.54 -11.44 1 6 0 65 239.323 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[[(2R)-tetrahydro…

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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) 0.48 4.03 -48.76 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.48 2.67 -8.39 1 6 0 65 239.323 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[[(2S)-tetrahydr…

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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) -0.66 1.58 -58.18 2 7 1 79 242.303 7 ↓
Mid Mid (pH 6-8) -0.66 0.25 -13.62 1 7 0 74 241.295 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[[(2R)-tetrahydr…

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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) -0.66 1.72 -49.22 2 7 1 79 242.303 7 ↓
Mid Mid (pH 6-8) -0.66 0.38 -10.44 1 7 0 74 241.295 7 ↓

Analogs

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Popular Name: [1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methanamine [1-[[(2R)-tetrahydrofuran-2-yl]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) -1.02 -0.27 -63.38 3 6 1 80 184.223 3 ↓
Hi High (pH 8-9.5) -1.02 -0.66 -14.79 2 6 0 79 183.215 3 ↓

Analogs

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Popular Name: [1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methanamine [1-[[(2S)-tetrahydrofuran-2-yl]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) -1.02 -0.33 -64.21 3 6 1 80 184.223 3 ↓
Hi High (pH 8-9.5) -1.02 -0.7 -15.05 2 6 0 79 183.215 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[[(2S)-tetrahydrof…

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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) -0.64 1.59 -57.3 2 6 1 69 198.25 4 ↓
Hi High (pH 8-9.5) -0.64 0.16 -11.7 1 6 0 65 197.242 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[[(2R)-tetrahydrof…

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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) -0.64 1.72 -49.22 2 6 1 69 198.25 4 ↓
Hi High (pH 8-9.5) -0.64 0.29 -8.86 1 6 0 65 197.242 4 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[[(2S)-tetrahydrofuran-2-y…

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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) -0.27 2.45 -56.33 2 6 1 69 212.277 5 ↓
Hi High (pH 8-9.5) -0.27 1.09 -11.56 1 6 0 65 211.269 5 ↓

Analogs

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Popular Name: N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[[(2R)-tetrahydrofuran-2-y…

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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) -0.27 2.58 -47.92 2 6 1 69 212.277 5 ↓
Hi High (pH 8-9.5) -0.27 1.22 -8.62 1 6 0 65 211.269 5 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[[(2S)-tetrahydrofuran-2-y…

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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) 0.24 3.2 -57.27 2 6 1 69 226.304 6 ↓
Hi High (pH 8-9.5) 0.24 1.86 -11.4 1 6 0 65 225.296 6 ↓

Analogs

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Popular Name: N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[[(2R)-tetrahydrofuran-2-y…

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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) 0.24 3.33 -48.75 2 6 1 69 226.304 6 ↓
Hi High (pH 8-9.5) 0.24 1.99 -8.5 1 6 0 65 225.296 6 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[[(2S)-tetrahydrofuran-2-y…

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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) 0.03 2.98 -53.38 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.03 1.76 -11.19 1 6 0 65 225.296 5 ↓

Analogs

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Popular Name: N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[[(2R)-tetrahydrofuran-2-y…

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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) 0.03 3.1 -45.44 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.03 1.9 -8.42 1 6 0 65 225.296 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[[(2S)-tetrahydro…

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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) 0.54 3.41 -51.37 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.54 2.18 -11.13 1 6 0 65 239.323 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[[(2R)-tetrahydro…

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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) 0.54 3.53 -43.52 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.54 2.3 -8.41 1 6 0 65 239.323 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(1S)-1-[(2S)-tet…

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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) 0.84 4.44 -50.17 2 6 1 69 254.358 6 ↓
Hi High (pH 8-9.5) 0.84 3.25 -11.89 1 6 0 65 253.35 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(1R)-1-[(2S)-tet…

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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) 0.84 4.62 -56.26 2 6 1 69 254.358 6 ↓
Hi High (pH 8-9.5) 0.84 3.41 -13.17 1 6 0 65 253.35 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(1S)-1-[(2R)-tet…

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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) 0.84 4.63 -56.69 2 6 1 69 254.358 6 ↓
Hi High (pH 8-9.5) 0.84 3.42 -13.3 1 6 0 65 253.35 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(1R)-1-[(2R)-tet…

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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) 0.84 4.46 -52.18 2 6 1 69 254.358 6 ↓
Hi High (pH 8-9.5) 0.84 3.26 -11.67 1 6 0 65 253.35 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(1S)-1-[(2S)-te…

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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) -0.30 2.14 -52.04 2 7 1 79 256.33 7 ↓
Mid Mid (pH 6-8) -0.30 0.73 -15.03 1 7 0 74 255.322 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(1R)-1-[(2S)-te…

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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) -0.30 2.31 -57.46 2 7 1 79 256.33 7 ↓
Mid Mid (pH 6-8) -0.30 0.9 -16.19 1 7 0 74 255.322 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(1S)-1-[(2R)-te…

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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) -0.30 2.32 -58.04 2 7 1 79 256.33 7 ↓
Mid Mid (pH 6-8) -0.30 0.91 -16.43 1 7 0 74 255.322 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(1R)-1-[(2R)-te…

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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) -0.30 2.15 -53.34 2 7 1 79 256.33 7 ↓
Mid Mid (pH 6-8) -0.30 0.74 -14.63 1 7 0 74 255.322 7 ↓

Analogs

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Popular Name: [1-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methanamine [1-[(1S)-1-[(2S)-tetrahydrofuran…

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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) -0.66 0.28 -57.01 3 6 1 80 198.25 3 ↓
Hi High (pH 8-9.5) -0.66 -0.1 -11.73 2 6 0 79 197.242 3 ↓

Analogs

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Popular Name: [1-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methanamine [1-[(1R)-1-[(2S)-tetrahydrofuran…

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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) -0.66 0.44 -63.07 3 6 1 80 198.25 3 ↓
Hi High (pH 8-9.5) -0.66 0.06 -12.52 2 6 0 79 197.242 3 ↓

Analogs

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Popular Name: [1-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methanamine [1-[(1S)-1-[(2R)-tetrahydrofuran…

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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) -0.66 0.45 -63.61 3 6 1 80 198.25 3 ↓
Hi High (pH 8-9.5) -0.66 0.07 -12.61 2 6 0 79 197.242 3 ↓

Analogs

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Popular Name: [1-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methanamine [1-[(1R)-1-[(2R)-tetrahydrofuran…

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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) -0.66 0.28 -59.21 3 6 1 80 198.25 3 ↓
Hi High (pH 8-9.5) -0.66 -0.1 -10.98 2 6 0 79 197.242 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(1S)-1-[(2S)-tetr…

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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) -0.28 2.15 -51.05 2 6 1 69 212.277 4 ↓
Hi High (pH 8-9.5) -0.28 0.72 -12.24 1 6 0 65 211.269 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(1R)-1-[(2S)-tetr…

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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) -0.28 2.32 -56.54 2 6 1 69 212.277 4 ↓
Hi High (pH 8-9.5) -0.28 0.89 -13.5 1 6 0 65 211.269 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(1S)-1-[(2R)-tetr…

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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) -0.28 2.33 -57.13 2 6 1 69 212.277 4 ↓
Hi High (pH 8-9.5) -0.28 0.9 -13.65 1 6 0 65 211.269 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(1R)-1-[(2R)-tetr…

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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) -0.28 2.16 -52.86 2 6 1 69 212.277 4 ↓
Hi High (pH 8-9.5) -0.28 0.73 -12.14 1 6 0 65 211.269 4 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1S)-1-[(2S)-tetrahydrofu…

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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) 0.10 3.01 -50.11 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.10 1.65 -10.77 1 6 0 65 225.296 5 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1R)-1-[(2S)-tetrahydrofu…

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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) 0.10 3.18 -55.7 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.10 1.82 -11.49 1 6 0 65 225.296 5 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1S)-1-[(2R)-tetrahydrofu…

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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) 0.10 3.19 -56.15 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.10 1.83 -11.72 1 6 0 65 225.296 5 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1R)-1-[(2R)-tetrahydrofu…

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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) 0.10 3.02 -51.71 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.10 1.66 -10.06 1 6 0 65 225.296 5 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1S)-1-[(2S)-tetrahydrofu…

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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) 0.60 3.76 -50.81 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.60 2.42 -10.64 1 6 0 65 239.323 6 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1R)-1-[(2S)-tetrahydrofu…

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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) 0.60 3.93 -56.6 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.60 2.58 -11.37 1 6 0 65 239.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1S)-1-[(2R)-tetrahydrofu…

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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) 0.60 3.94 -57.04 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.60 2.59 -11.55 1 6 0 65 239.323 6 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1R)-1-[(2R)-tetrahydrofu…

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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) 0.60 3.77 -52.52 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.60 2.42 -9.93 1 6 0 65 239.323 6 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1S)-1-[(2S)-tetrahydrofu…

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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) 0.39 3.54 -47.13 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.39 2.35 -11.95 1 6 0 65 239.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1R)-1-[(2S)-tetrahydrofu…

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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) 0.39 3.71 -52.64 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.39 2.51 -13.1 1 6 0 65 239.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1S)-1-[(2R)-tetrahydrofu…

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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) 0.39 3.72 -53.05 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.39 2.52 -13.3 1 6 0 65 239.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1R)-1-[(2R)-tetrahydrofu…

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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) 0.39 3.55 -48.84 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.39 2.36 -11.73 1 6 0 65 239.323 5 ↓

Parameters Provided:

ring.id = 100258
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 = 100258 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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