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Analogs

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Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazole-5-thiol 1-[(1S)-2-cyclopropyl-1-methyl-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 4.87 -35.22 0 4 -1 44 183.26 3 ↓
Lo Low (pH 4.5-6) 0.81 5.06 -6.25 1 4 0 47 184.268 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazole-5-thiol 1-[(1R)-2-cyclopropyl-1-methyl-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 4.87 -35.21 0 4 -1 44 183.26 3 ↓
Lo Low (pH 4.5-6) 0.81 5.06 -6.24 1 4 0 47 184.268 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]tetrazole-5-thiol 1-[(1S)-1-(cyclopropylmethyl)pro…

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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) 2.04 5.76 -35.97 0 4 -1 44 197.287 4 ↓
Lo Low (pH 4.5-6) 1.31 5.95 -6.27 1 4 0 47 198.295 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]tetrazole-5-thiol 1-[(1R)-1-(cyclopropylmethyl)pro…

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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) 2.04 5.73 -36.27 0 4 -1 44 197.287 4 ↓
Lo Low (pH 4.5-6) 1.31 5.93 -6.03 1 4 0 47 198.295 4 ↓

Analogs

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Popular Name: 2-[1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]sulfanylacetic 2-[1-[(1S)-2-cyclopropyl-1-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) 0.99 6.18 -39.56 0 6 -1 84 241.296 6 ↓

Analogs

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Popular Name: 2-[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]sulfanylacetic 2-[1-[(1R)-2-cyclopropyl-1-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) 0.99 6.14 -39.84 0 6 -1 84 241.296 6 ↓

Analogs

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

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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) 1.50 5.52 -9.46 0 4 0 44 200.673 4 ↓

Analogs

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

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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) 1.50 5.47 -9.07 0 4 0 44 200.673 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-1-(cyclopropylmethyl)propyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-(cycl…

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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) 2.00 6.41 -9.32 0 4 0 44 214.7 5 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-1-(cyclopropylmethyl)propyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-(cycl…

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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) 2.00 6.36 -9 0 4 0 44 214.7 5 ↓

Analogs

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Popular Name: 1-[1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1S)-2-cyclopropyl-1-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) 0.49 4.16 -53.25 2 5 1 60 196.278 5 ↓
Hi High (pH 8-9.5) 0.49 2.73 -9.57 1 5 0 56 195.27 5 ↓

Analogs

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Popular Name: 1-[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1R)-2-cyclopropyl-1-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) 0.49 4.11 -52.46 2 5 1 60 196.278 5 ↓
Hi High (pH 8-9.5) 0.49 2.68 -9.42 1 5 0 56 195.27 5 ↓

Analogs

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Popular Name: N-[[1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1S)-2-cyclopropyl-1-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) 0.86 5.02 -52.35 2 5 1 60 210.305 6 ↓
Hi High (pH 8-9.5) 0.86 3.66 -7.86 1 5 0 56 209.297 6 ↓

Analogs

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Popular Name: N-[[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1R)-2-cyclopropyl-1-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) 0.86 4.97 -51.48 2 5 1 60 210.305 6 ↓
Hi High (pH 8-9.5) 0.86 3.62 -7.58 1 5 0 56 209.297 6 ↓

Analogs

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Popular Name: N-[[1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1S)-2-cyclopropyl-1-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) 1.16 5.54 -50.45 2 5 1 60 224.332 6 ↓
Hi High (pH 8-9.5) 1.16 4.36 -9.18 1 5 0 56 223.324 6 ↓

Analogs

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Popular Name: N-[[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1R)-2-cyclopropyl-1-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) 1.16 5.51 -49.63 2 5 1 60 224.332 6 ↓
Hi High (pH 8-9.5) 1.16 4.31 -9.06 1 5 0 56 223.324 6 ↓

Analogs

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Popular Name: [1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methanamine [1-[(1S)-2-cyclopropyl-1-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) 0.11 2.29 -59.76 3 5 1 71 182.251 4 ↓
Hi High (pH 8-9.5) 0.11 1.91 -10.47 2 5 0 70 181.243 4 ↓

Analogs

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Popular Name: [1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methanamine [1-[(1R)-2-cyclopropyl-1-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) 0.11 2.24 -58.86 3 5 1 71 182.251 4 ↓
Hi High (pH 8-9.5) 0.11 1.86 -10.31 2 5 0 70 181.243 4 ↓

Analogs

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Popular Name: N-[[1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1S)-2-cyclopropyl-1-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) 1.36 5.77 -53.3 2 5 1 60 224.332 7 ↓
Hi High (pH 8-9.5) 1.36 4.43 -7.7 1 5 0 56 223.324 7 ↓

Analogs

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Popular Name: N-[[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1R)-2-cyclopropyl-1-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) 1.36 5.73 -52.4 2 5 1 60 224.332 7 ↓
Hi High (pH 8-9.5) 1.36 4.38 -7.45 1 5 0 56 223.324 7 ↓

Analogs

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Popular Name: 1-[1-[(1S)-1-(cyclopropylmethyl)propyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1S)-1-(cyclopropylmethyl)…

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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) 0.99 5.05 -53.28 2 5 1 60 210.305 6 ↓
Hi High (pH 8-9.5) 0.99 3.62 -9.59 1 5 0 56 209.297 6 ↓

Analogs

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Popular Name: 1-[1-[(1R)-1-(cyclopropylmethyl)propyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1R)-1-(cyclopropylmethyl)…

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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) 0.99 5.06 -51.61 2 5 1 60 210.305 6 ↓
Hi High (pH 8-9.5) 0.99 3.63 -9.41 1 5 0 56 209.297 6 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-(cyclopropylmethyl)propyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1S)-1-(cyclopropylmethyl…

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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 5.91 -52.35 2 5 1 60 224.332 7 ↓
Hi High (pH 8-9.5) 1.36 4.55 -9.34 1 5 0 56 223.324 7 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-(cyclopropylmethyl)propyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1R)-1-(cyclopropylmethyl…

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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 5.92 -50.51 2 5 1 60 224.332 7 ↓
Hi High (pH 8-9.5) 1.36 4.55 -9.28 1 5 0 56 223.324 7 ↓

Analogs

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Popular Name: [1-[(1S)-1-(cyclopropylmethyl)propyl]tetrazol-5-yl]methanamine [1-[(1S)-1-(cyclopropylmethyl)pr…

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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) 0.61 3.18 -59.8 3 5 1 71 196.278 5 ↓
Hi High (pH 8-9.5) 0.61 2.8 -8.77 2 5 0 70 195.27 5 ↓

Analogs

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Popular Name: [1-[(1R)-1-(cyclopropylmethyl)propyl]tetrazol-5-yl]methanamine [1-[(1R)-1-(cyclopropylmethyl)pr…

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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) 0.61 3.19 -58.01 3 5 1 71 196.278 5 ↓
Hi High (pH 8-9.5) 0.61 2.75 -8.53 2 5 0 70 195.27 5 ↓

Analogs

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Popular Name: 2-[1-[(1S)-1-(cyclopropylmethyl)propyl]tetrazol-5-yl]sulfanylacetic 2-[1-[(1S)-1-(cyclopropylmethyl)…

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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 7.07 -40 0 6 -1 84 255.323 7 ↓

Analogs

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Popular Name: 2-[1-[(1R)-1-(cyclopropylmethyl)propyl]tetrazol-5-yl]sulfanylacetic 2-[1-[(1R)-1-(cyclopropylmethyl)…

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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 7.04 -40.26 0 6 -1 84 255.323 7 ↓

Analogs

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Popular Name: N-[[1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1S)-2-cyclopropyl-1-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) 1.61 6.47 -52.97 2 5 1 60 238.359 7 ↓
Hi High (pH 8-9.5) 1.61 5.11 -9.16 1 5 0 56 237.351 7 ↓

Analogs

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Popular Name: N-[[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1R)-2-cyclopropyl-1-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) 1.61 6.42 -52.16 2 5 1 60 238.359 7 ↓
Hi High (pH 8-9.5) 1.61 5.06 -9 1 5 0 56 237.351 7 ↓

Analogs

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Popular Name: N-[[1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1S)-2-cyclopropyl-1-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) 0.47 4.15 -54.06 2 6 1 69 240.331 8 ↓
Mid Mid (pH 6-8) 0.47 2.74 -12.22 1 6 0 65 239.323 8 ↓

Analogs

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Popular Name: N-[[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1R)-2-cyclopropyl-1-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) 0.47 4.11 -53.17 2 6 1 69 240.331 8 ↓
Mid Mid (pH 6-8) 0.47 2.7 -11.96 1 6 0 65 239.323 8 ↓

Analogs

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Popular Name: N-[[1-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1S)-2-cyclopropyl-1-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) 1.67 5.97 -47.23 2 5 1 60 238.359 6 ↓
Hi High (pH 8-9.5) 1.67 4.75 -8.94 1 5 0 56 237.351 6 ↓

Analogs

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Popular Name: N-[[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1R)-2-cyclopropyl-1-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) 1.67 5.92 -46.49 2 5 1 60 238.359 6 ↓
Hi High (pH 8-9.5) 1.67 4.71 -8.83 1 5 0 56 237.351 6 ↓

Analogs

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

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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) 2.11 7.35 -52.92 2 5 1 60 252.386 8 ↓
Hi High (pH 8-9.5) 2.11 6 -9.13 1 5 0 56 251.378 8 ↓

Analogs

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

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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) 2.11 7.36 -50.76 2 5 1 60 252.386 8 ↓
Hi High (pH 8-9.5) 2.11 5.99 -8.97 1 5 0 56 251.378 8 ↓

Analogs

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

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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 6.43 -50.46 2 5 1 60 238.359 7 ↓
Hi High (pH 8-9.5) 1.66 5.25 -9.17 1 5 0 56 237.351 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.44 -48.46 2 5 1 60 238.359 7 ↓
Hi High (pH 8-9.5) 1.66 5.26 -9.06 1 5 0 56 237.351 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.97 5.04 -54.06 2 6 1 69 254.358 9 ↓
Mid Mid (pH 6-8) 0.97 3.63 -12.22 1 6 0 65 253.35 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 0.97 5.05 -52.15 2 6 1 69 254.358 9 ↓
Mid Mid (pH 6-8) 0.97 3.63 -12.01 1 6 0 65 253.35 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 1.87 6.62 -53.5 2 5 1 60 238.359 8 ↓
Hi High (pH 8-9.5) 1.87 5.28 -7.74 1 5 0 56 237.351 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.87 6.67 -51.34 2 5 1 60 238.359 8 ↓
Hi High (pH 8-9.5) 1.87 5.27 -7.42 1 5 0 56 237.351 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.17 6.85 -47.2 2 5 1 60 252.386 7 ↓
Hi High (pH 8-9.5) 2.17 5.64 -9.03 1 5 0 56 251.378 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.17 6.88 -45.27 2 5 1 60 252.386 7 ↓
Hi High (pH 8-9.5) 2.17 5.65 -8.87 1 5 0 56 251.378 7 ↓

Parameters Provided:

ring.id = 388172
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 = 388172 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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