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Popular Name: 5-(chloromethyl)-1-(cyclopropylmethyl)-1H-1,2,3,4-tetrazole 5-(chloromethyl)-1-(cyclopropylm…

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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) 0.87 4.18 -10.12 0 4 0 44 172.619 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1S)-1-cyclopropylethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-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) 1.23 4.79 -9.59 0 4 0 44 186.646 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-1-cyclopropylethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-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) 1.23 4.77 -9.68 0 4 0 44 186.646 3 ↓

Analogs

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

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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 5.17 -51.95 2 5 1 60 210.305 6 ↓
Hi High (pH 8-9.5) 0.97 3.96 -7.57 1 5 0 56 209.297 6 ↓

Analogs

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

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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) -0.16 2.86 -52.87 2 6 1 69 212.277 7 ↓
Mid Mid (pH 6-8) -0.16 1.52 -9.63 1 6 0 65 211.269 7 ↓

Analogs

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Popular Name: [1-(cyclopropylmethyl)-1H-1,2,3,4-tetrazol-5-yl]methanamine [1-(cyclopropylmethyl)-1H-1,2,3,…

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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) -0.52 0.99 -57.34 3 5 1 71 154.197 3 ↓
Hi High (pH 8-9.5) -0.52 0.58 -9.18 2 5 0 70 153.189 3 ↓

Analogs

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Popular Name: 1-[1-(cyclopropylmethyl)tetrazol-5-yl]-N-methyl-methanamine 1-[1-(cyclopropylmethyl)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) -0.15 2.86 -52.24 2 5 1 60 168.224 4 ↓
Hi High (pH 8-9.5) -0.15 1.43 -7.91 1 5 0 56 167.216 4 ↓

Analogs

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

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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) 0.23 3.72 -51.27 2 5 1 60 182.251 5 ↓
Hi High (pH 8-9.5) 0.23 2.36 -7.81 1 5 0 56 181.243 5 ↓

Analogs

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

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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) 0.73 4.47 -52.2 2 5 1 60 196.278 6 ↓
Hi High (pH 8-9.5) 0.73 3.13 -7.65 1 5 0 56 195.27 6 ↓

Analogs

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

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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) 0.52 4.25 -48.5 2 5 1 60 196.278 5 ↓
Hi High (pH 8-9.5) 0.52 3.04 -7.45 1 5 0 56 195.27 5 ↓

Analogs

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

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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) 1.04 4.68 -46.45 2 5 1 60 210.305 5 ↓
Hi High (pH 8-9.5) 1.04 3.45 -7.37 1 5 0 56 209.297 5 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-cyclopropylethyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1S)-1-cyclopropylethyl]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) 1.34 5.86 -51.71 2 5 1 60 224.332 6 ↓
Hi High (pH 8-9.5) 1.34 4.66 -9.4 1 5 0 56 223.324 6 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-cyclopropylethyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1R)-1-cyclopropylethyl]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) 1.34 5.72 -53.2 2 5 1 60 224.332 6 ↓
Hi High (pH 8-9.5) 1.34 4.51 -9.78 1 5 0 56 223.324 6 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-cyclopropylethyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1S)-1-cyclopropylethyl]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) 0.20 3.55 -53.06 2 6 1 69 226.304 7 ↓
Mid Mid (pH 6-8) 0.20 2.15 -12.42 1 6 0 65 225.296 7 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-cyclopropylethyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1R)-1-cyclopropylethyl]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) 0.20 3.41 -54.28 2 6 1 69 226.304 7 ↓
Mid Mid (pH 6-8) 0.20 2 -12.7 1 6 0 65 225.296 7 ↓

Analogs

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Popular Name: [1-[(1S)-1-cyclopropylethyl]tetrazol-5-yl]methanamine [1-[(1S)-1-cyclopropylethyl]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) -0.16 1.69 -59.22 3 5 1 71 168.224 3 ↓
Hi High (pH 8-9.5) -0.16 1.24 -8.9 2 5 0 70 167.216 3 ↓

Analogs

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Popular Name: [1-[(1R)-1-cyclopropylethyl]tetrazol-5-yl]methanamine [1-[(1R)-1-cyclopropylethyl]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) -0.16 1.54 -59.92 3 5 1 71 168.224 3 ↓
Hi High (pH 8-9.5) -0.16 1.16 -9.21 2 5 0 70 167.216 3 ↓

Analogs

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Popular Name: 1-[1-[(1S)-1-cyclopropylethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1S)-1-cyclopropylethyl]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) 0.22 3.56 -52.52 2 5 1 60 182.251 4 ↓
Hi High (pH 8-9.5) 0.22 2.13 -9.76 1 5 0 56 181.243 4 ↓

Analogs

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Popular Name: 1-[1-[(1R)-1-cyclopropylethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1R)-1-cyclopropylethyl]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) 0.22 3.41 -53.46 2 5 1 60 182.251 4 ↓
Hi High (pH 8-9.5) 0.22 1.98 -10.09 1 5 0 56 181.243 4 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-cyclopropylethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1S)-1-cyclopropylethyl]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) 0.59 4.41 -51.48 2 5 1 60 196.278 5 ↓
Hi High (pH 8-9.5) 0.59 3 -7.92 1 5 0 56 195.27 5 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-cyclopropylethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1R)-1-cyclopropylethyl]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) 0.59 4.27 -52.5 2 5 1 60 196.278 5 ↓
Hi High (pH 8-9.5) 0.59 2.92 -8.21 1 5 0 56 195.27 5 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-cyclopropylethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1S)-1-cyclopropylethyl]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) 1.09 5.16 -52.38 2 5 1 60 210.305 6 ↓
Hi High (pH 8-9.5) 1.09 3.76 -7.84 1 5 0 56 209.297 6 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-cyclopropylethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1R)-1-cyclopropylethyl]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) 1.09 5.03 -53.41 2 5 1 60 210.305 6 ↓
Hi High (pH 8-9.5) 1.09 3.68 -8.08 1 5 0 56 209.297 6 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-cyclopropylethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1S)-1-cyclopropylethyl]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) 0.89 4.95 -48.42 2 5 1 60 210.305 5 ↓
Hi High (pH 8-9.5) 0.89 3.76 -9.44 1 5 0 56 209.297 5 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-cyclopropylethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1R)-1-cyclopropylethyl]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) 0.89 4.81 -49.55 2 5 1 60 210.305 5 ↓
Hi High (pH 8-9.5) 0.89 3.61 -9.74 1 5 0 56 209.297 5 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-cyclopropylethyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1S)-1-cyclopropylethyl]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) 1.40 5.36 -46.12 2 5 1 60 224.332 5 ↓
Hi High (pH 8-9.5) 1.40 4.15 -9.2 1 5 0 56 223.324 5 ↓

Analogs

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Popular Name: N-[[1-[(1R)-1-cyclopropylethyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1R)-1-cyclopropylethyl]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) 1.40 5.21 -47.45 2 5 1 60 224.332 5 ↓
Hi High (pH 8-9.5) 1.40 4.01 -9.55 1 5 0 56 223.324 5 ↓

Parameters Provided:

ring.id = 151590
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 = 151590 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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