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Analogs

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Popular Name: N-(3,3-dimethylbutyl)-2-[1-(2-thienylmethyl)tetrazol-5-yl]sulfanyl-acetamide N-(3,3-dimethylbutyl)-2-[1-(2-th…

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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) 2.81 6.29 -10.66 1 6 0 73 339.49 8 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-(2-thienylmethyl)tetrazole 5-(chloromethyl)-1-(2-thienylmet…

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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) 1.49 4.58 -11.61 0 4 0 44 214.681 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-1-(2-thienyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(2-th…

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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) 1.86 5.42 -11.62 0 4 0 44 228.708 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-1-(2-thienyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(2-th…

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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) 1.86 5.42 -11.34 0 4 0 44 228.708 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(5-methyl-2-thienyl)methyl]tetrazole 5-(chloromethyl)-1-[(5-methyl-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 5.41 -11.74 0 4 0 44 228.708 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-1-(2-thienyl)propyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(2-th…

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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) 2.36 6.08 -11.06 0 4 0 44 242.735 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-1-(2-thienyl)propyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(2-th…

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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) 2.36 6.31 -11.11 0 4 0 44 242.735 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-1-(2-thienyl)butyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(2-th…

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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) 2.92 6.86 -11.02 0 4 0 44 256.762 5 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-1-(2-thienyl)butyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(2-th…

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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) 2.92 6.86 -10.81 0 4 0 44 256.762 5 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-1-(5-chloro-2-thienyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(5-ch…

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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) 2.66 6.05 -12.11 0 4 0 44 263.153 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-1-(5-chloro-2-thienyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(5-ch…

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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) 2.66 6.05 -12.01 0 4 0 44 263.153 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-2-methyl-1-(2-thienyl)propyl]tetrazole 5-(chloromethyl)-1-[(1S)-2-methy…

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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) 2.60 6.87 -11.07 0 4 0 44 256.762 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-2-methyl-1-(2-thienyl)propyl]tetrazole 5-(chloromethyl)-1-[(1R)-2-methy…

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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) 2.60 6.87 -10.77 0 4 0 44 256.762 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-1-(5-methyl-2-thienyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(5-me…

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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) 2.08 6.25 -11.47 0 4 0 44 242.735 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-1-(5-methyl-2-thienyl)ethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(5-me…

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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) 2.08 6.26 -11.76 0 4 0 44 242.735 3 ↓

Analogs

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

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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) 1.60 5.7 -50.66 2 5 1 60 252.367 6 ↓
Hi High (pH 8-9.5) 1.60 4.49 -7.48 1 5 0 56 251.359 6 ↓

Analogs

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

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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) 0.46 3.39 -51.39 2 6 1 69 254.339 7 ↓
Mid Mid (pH 6-8) 0.46 2.05 -9.46 1 6 0 65 253.331 7 ↓

Analogs

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Popular Name: [1-(2-thienylmethyl)tetrazol-5-yl]methanamine [1-(2-thienylmethyl)tetrazol-5-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) 0.10 1.63 -61 3 5 1 71 196.259 3 ↓
Hi High (pH 8-9.5) 0.10 1.25 -11.08 2 5 0 70 195.251 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-(2-thienylmethyl)tetrazol-5-yl]methanamine N-methyl-1-[1-(2-thienylmethyl)t…

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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 3.4 -51.41 2 5 1 60 210.286 4 ↓
Hi High (pH 8-9.5) 0.48 1.97 -7.98 1 5 0 56 209.278 4 ↓

Analogs

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

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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) 0.85 4.25 -50.13 2 5 1 60 224.313 5 ↓
Hi High (pH 8-9.5) 0.85 2.9 -7.74 1 5 0 56 223.305 5 ↓

Analogs

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

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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) 1.36 5.01 -50.99 2 5 1 60 238.34 6 ↓
Hi High (pH 8-9.5) 1.36 3.66 -7.58 1 5 0 56 237.332 6 ↓

Analogs

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

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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) 1.15 4.79 -47.45 2 5 1 60 238.34 5 ↓
Hi High (pH 8-9.5) 1.15 3.57 -7.48 1 5 0 56 237.332 5 ↓

Analogs

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

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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) 1.66 5.21 -45.22 2 5 1 60 252.367 5 ↓
Hi High (pH 8-9.5) 1.66 3.99 -7.38 1 5 0 56 251.359 5 ↓

Analogs

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

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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) 1.96 6.37 -56.49 2 5 1 60 266.394 6 ↓
Hi High (pH 8-9.5) 1.96 5.16 -11.5 1 5 0 56 265.386 6 ↓

Analogs

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

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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) 1.96 6.37 -57.06 2 5 1 60 266.394 6 ↓
Hi High (pH 8-9.5) 1.96 5.16 -11.38 1 5 0 56 265.386 6 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.82 4.06 -58.04 2 6 1 69 268.366 7 ↓
Mid Mid (pH 6-8) 0.82 2.65 -14.55 1 6 0 65 267.358 7 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.82 4.06 -58.19 2 6 1 69 268.366 7 ↓
Mid Mid (pH 6-8) 0.82 2.65 -14.36 1 6 0 65 267.358 7 ↓

Analogs

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Popular Name: [1-[(1S)-1-(2-thienyl)ethyl]tetrazol-5-yl]methanamine [1-[(1S)-1-(2-thienyl)ethyl]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) 0.46 2.19 -63.47 3 5 1 71 210.286 3 ↓
Hi High (pH 8-9.5) 0.46 1.81 -10.88 2 5 0 70 209.278 3 ↓

Analogs

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Popular Name: [1-[(1R)-1-(2-thienyl)ethyl]tetrazol-5-yl]methanamine [1-[(1R)-1-(2-thienyl)ethyl]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) 0.46 2.19 -63.97 3 5 1 71 210.286 3 ↓
Hi High (pH 8-9.5) 0.46 1.81 -10.68 2 5 0 70 209.278 3 ↓

Analogs

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

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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 4.07 -56.91 2 5 1 60 224.313 4 ↓
Hi High (pH 8-9.5) 0.84 2.64 -11.82 1 5 0 56 223.305 4 ↓

Analogs

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

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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 4.07 -57.27 2 5 1 60 224.313 4 ↓
Hi High (pH 8-9.5) 0.84 2.64 -11.73 1 5 0 56 223.305 4 ↓

Analogs

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

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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) 1.22 4.92 -56.02 2 5 1 60 238.34 5 ↓
Hi High (pH 8-9.5) 1.22 3.56 -9.9 1 5 0 56 237.332 5 ↓

Analogs

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

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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) 1.22 4.92 -56.38 2 5 1 60 238.34 5 ↓
Hi High (pH 8-9.5) 1.22 3.57 -9.74 1 5 0 56 237.332 5 ↓

Analogs

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

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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) 1.72 5.67 -56.92 2 5 1 60 252.367 6 ↓
Hi High (pH 8-9.5) 1.72 4.32 -9.77 1 5 0 56 251.359 6 ↓

Analogs

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

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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) 1.72 5.68 -57.34 2 5 1 60 252.367 6 ↓
Hi High (pH 8-9.5) 1.72 4.33 -9.55 1 5 0 56 251.359 6 ↓

Analogs

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

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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) 1.51 5.45 -54.13 2 5 1 60 252.367 5 ↓
Hi High (pH 8-9.5) 1.51 4.24 -11.62 1 5 0 56 251.359 5 ↓

Analogs

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

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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) 1.51 5.46 -54.56 2 5 1 60 252.367 5 ↓
Hi High (pH 8-9.5) 1.51 4.24 -11.51 1 5 0 56 251.359 5 ↓

Analogs

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

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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) 2.02 5.86 -50.58 2 5 1 60 266.394 5 ↓
Hi High (pH 8-9.5) 2.02 4.66 -11.16 1 5 0 56 265.386 5 ↓

Analogs

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

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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) 2.02 5.87 -51.11 2 5 1 60 266.394 5 ↓
Hi High (pH 8-9.5) 2.02 4.66 -11.06 1 5 0 56 265.386 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(5-methyl-2-thienyl)methyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(5-methyl-2-thie…

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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) 1.82 6.44 -52.04 2 5 1 60 266.394 6 ↓
Hi High (pH 8-9.5) 1.82 5.05 -10.88 1 5 0 56 265.386 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(5-methyl-2-thienyl)methyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(5-methyl-2-thi…

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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) 0.68 4.34 -54.9 2 6 1 69 268.366 7 ↓
Mid Mid (pH 6-8) 0.68 2.91 -14.12 1 6 0 65 267.358 7 ↓

Analogs

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Popular Name: [1-[(5-methyl-2-thienyl)methyl]tetrazol-5-yl]methanamine [1-[(5-methyl-2-thienyl)methyl]t…

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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) 0.32 2.46 -60.92 3 5 1 71 210.286 3 ↓
Hi High (pH 8-9.5) 0.32 2.08 -12.53 2 5 0 70 209.278 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(5-methyl-2-thienyl)methyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(5-methyl-2-thien…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 4.33 -54.35 2 5 1 60 224.313 4 ↓
Hi High (pH 8-9.5) 0.70 2.9 -11.48 1 5 0 56 223.305 4 ↓

Analogs

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Popular Name: N-[[1-[(5-methyl-2-thienyl)methyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(5-methyl-2-thienyl)methy…

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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) 1.07 5.09 -49.95 2 5 1 60 238.34 5 ↓
Hi High (pH 8-9.5) 1.07 3.73 -7.76 1 5 0 56 237.332 5 ↓

Analogs

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Popular Name: N-[[1-[(5-methyl-2-thienyl)methyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(5-methyl-2-thienyl)methy…

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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) 1.58 5.84 -50.82 2 5 1 60 252.367 6 ↓
Hi High (pH 8-9.5) 1.58 4.49 -7.6 1 5 0 56 251.359 6 ↓

Analogs

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Popular Name: N-[[1-[(5-methyl-2-thienyl)methyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(5-methyl-2-thienyl)methy…

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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) 1.37 5.71 -50.76 2 5 1 60 252.367 5 ↓
Hi High (pH 8-9.5) 1.37 4.45 -11.21 1 5 0 56 251.359 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(5-methyl-2-thienyl)methyl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[(5-methyl-2-thie…

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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) 1.88 6.03 -46.73 2 5 1 60 266.394 5 ↓
Hi High (pH 8-9.5) 1.88 4.81 -10.69 1 5 0 56 265.386 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(1S)-1-(2-thienyl)propyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(1S)-1-(2-thieny…

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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) 2.46 7.03 -56.97 2 5 1 60 280.421 7 ↓
Hi High (pH 8-9.5) 2.46 5.82 -11.06 1 5 0 56 279.413 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(1R)-1-(2-thienyl)propyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(1R)-1-(2-thieny…

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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) 2.46 7.31 -56.22 2 5 1 60 280.421 7 ↓
Hi High (pH 8-9.5) 2.46 6.1 -11.18 1 5 0 56 279.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[1-[(1S)-1-(2-thienyl)propyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(1S)-1-(2-thien…

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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) 1.33 4.72 -57.7 2 6 1 69 282.393 8 ↓
Mid Mid (pH 6-8) 1.33 3.31 -14.01 1 6 0 65 281.385 8 ↓

Parameters Provided:

ring.id = 101401
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 = 101401 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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