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Popular Name: 5-(chloromethyl)-1-[(1S)-tetralin-1-yl]tetrazole 5-(chloromethyl)-1-[(1S)-tetrali…

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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 7.53 -10.63 0 4 0 44 248.717 2 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(1R)-tetralin-1-yl]tetrazole 5-(chloromethyl)-1-[(1R)-tetrali…

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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 7.54 -9.71 0 4 0 44 248.717 2 ↓

Analogs

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

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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) 2.47 8.48 -53.84 2 5 1 60 286.403 5 ↓
Hi High (pH 8-9.5) 2.47 7.27 -8.18 1 5 0 56 285.395 5 ↓

Analogs

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

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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) 2.47 8.5 -52 2 5 1 60 286.403 5 ↓
Hi High (pH 8-9.5) 2.47 7.27 -8.6 1 5 0 56 285.395 5 ↓

Analogs

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

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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 6.17 -54.78 2 6 1 69 288.375 6 ↓
Mid Mid (pH 6-8) 1.33 4.83 -10.24 1 6 0 65 287.367 6 ↓

Analogs

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

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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 6.19 -52.87 2 6 1 69 288.375 6 ↓
Mid Mid (pH 6-8) 1.33 4.83 -10.77 1 6 0 65 287.367 6 ↓

Analogs

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Popular Name: [1-[(1S)-tetralin-1-yl]tetrazol-5-yl]methanamine [1-[(1S)-tetralin-1-yl]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) 0.97 4.32 -59.19 3 5 1 71 230.295 2 ↓
Hi High (pH 8-9.5) 0.97 3.91 -9.97 2 5 0 70 229.287 2 ↓

Analogs

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Popular Name: [1-[(1R)-tetralin-1-yl]tetrazol-5-yl]methanamine [1-[(1R)-tetralin-1-yl]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) 0.97 4.31 -61.04 3 5 1 71 230.295 2 ↓
Hi High (pH 8-9.5) 0.97 3.93 -9.41 2 5 0 70 229.287 2 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(1R)-tetralin-1-yl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(1R)-tetralin-1-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) 1.34 6.18 -54.3 2 5 1 60 244.322 3 ↓
Hi High (pH 8-9.5) 1.34 4.74 -8.62 1 5 0 56 243.314 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(1S)-tetralin-1-yl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(1S)-tetralin-1-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) 1.34 6.19 -52.53 2 5 1 60 244.322 3 ↓
Hi High (pH 8-9.5) 1.34 4.74 -9.16 1 5 0 56 243.314 3 ↓

Analogs

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

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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 7.04 -53.27 2 5 1 60 258.349 4 ↓
Hi High (pH 8-9.5) 1.72 5.67 -8.43 1 5 0 56 257.341 4 ↓

Analogs

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

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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 7.05 -51.56 2 5 1 60 258.349 4 ↓
Hi High (pH 8-9.5) 1.72 5.67 -8.93 1 5 0 56 257.341 4 ↓

Analogs

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

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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) 2.22 7.79 -54.24 2 5 1 60 272.376 5 ↓
Hi High (pH 8-9.5) 2.22 6.44 -8.29 1 5 0 56 271.368 5 ↓

Analogs

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

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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) 2.22 7.81 -52.45 2 5 1 60 272.376 5 ↓
Hi High (pH 8-9.5) 2.22 6.44 -8.77 1 5 0 56 271.368 5 ↓

Analogs

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

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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 7.57 -51.4 2 5 1 60 272.376 4 ↓
Hi High (pH 8-9.5) 2.02 6.37 -8.29 1 5 0 56 271.368 4 ↓

Analogs

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

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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 7.59 -49.44 2 5 1 60 272.376 4 ↓
Hi High (pH 8-9.5) 2.02 6.37 -8.81 1 5 0 56 271.368 4 ↓

Analogs

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

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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) 2.53 8 -48.11 2 5 1 60 286.403 4 ↓
Hi High (pH 8-9.5) 2.53 6.76 -8.04 1 5 0 56 285.395 4 ↓

Analogs

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

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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) 2.53 8.01 -46.15 2 5 1 60 286.403 4 ↓
Hi High (pH 8-9.5) 2.53 6.76 -8.41 1 5 0 56 285.395 4 ↓

Parameters Provided:

ring.id = 151603
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 = 151603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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