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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-(chloromethyl)-1-[(2S)-tetralin-2-yl]tetrazole 5-(chloromethyl)-1-[(2S)-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) 2.30 7.3 -9.7 0 4 0 44 248.717 2 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(2R)-tetralin-2-yl]tetrazole 5-(chloromethyl)-1-[(2R)-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) 2.30 7.3 -9.21 0 4 0 44 248.717 2 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(2R)-tetralin-2-yl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(2R)-tetralin-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) 2.41 8.25 -54.69 2 5 1 60 286.403 5 ↓
Hi High (pH 8-9.5) 2.41 6.9 -7.59 1 5 0 56 285.395 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(2S)-tetralin-2-yl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(2S)-tetralin-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) 2.41 8.26 -53.64 2 5 1 60 286.403 5 ↓
Hi High (pH 8-9.5) 2.41 6.9 -7.96 1 5 0 56 285.395 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(2R)-tetralin-2-yl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(2R)-tetralin-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) 1.27 5.94 -55.08 2 6 1 69 288.375 6 ↓
Mid Mid (pH 6-8) 1.27 4.6 -9.6 1 6 0 65 287.367 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(2S)-tetralin-2-yl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(2S)-tetralin-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) 1.27 5.95 -53.96 2 6 1 69 288.375 6 ↓
Mid Mid (pH 6-8) 1.27 4.61 -9.93 1 6 0 65 287.367 6 ↓

Analogs

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Popular Name: [1-[(2S)-tetralin-2-yl]tetrazol-5-yl]methanamine [1-[(2S)-tetralin-2-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) 0.91 4.07 -59.94 3 5 1 71 230.295 2 ↓
Hi High (pH 8-9.5) 0.91 3.69 -9.04 2 5 0 70 229.287 2 ↓

Analogs

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Popular Name: [1-[(2R)-tetralin-2-yl]tetrazol-5-yl]methanamine [1-[(2R)-tetralin-2-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) 0.91 4.08 -61.12 3 5 1 71 230.295 2 ↓
Hi High (pH 8-9.5) 0.91 3.69 -8.74 2 5 0 70 229.287 2 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(2R)-tetralin-2-yl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(2R)-tetralin-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) 1.28 5.95 -54.45 2 5 1 60 244.322 3 ↓
Hi High (pH 8-9.5) 1.28 4.52 -7.96 1 5 0 56 243.314 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(2S)-tetralin-2-yl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(2S)-tetralin-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) 1.28 5.96 -53.38 2 5 1 60 244.322 3 ↓
Hi High (pH 8-9.5) 1.28 4.53 -8.3 1 5 0 56 243.314 3 ↓

Analogs

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Popular Name: N-[[1-[(2R)-tetralin-2-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(2R)-tetralin-2-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) 1.66 6.81 -53.43 2 5 1 60 258.349 4 ↓
Hi High (pH 8-9.5) 1.66 5.45 -7.71 1 5 0 56 257.341 4 ↓

Analogs

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Popular Name: N-[[1-[(2S)-tetralin-2-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(2S)-tetralin-2-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) 1.66 6.82 -52.48 2 5 1 60 258.349 4 ↓
Hi High (pH 8-9.5) 1.66 5.46 -8.15 1 5 0 56 257.341 4 ↓

Analogs

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Popular Name: N-[[1-[(2R)-tetralin-2-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(2R)-tetralin-2-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) 2.16 7.56 -54.47 2 5 1 60 272.376 5 ↓
Hi High (pH 8-9.5) 2.16 6.21 -7.62 1 5 0 56 271.368 5 ↓

Analogs

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Popular Name: N-[[1-[(2S)-tetralin-2-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(2S)-tetralin-2-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) 2.16 7.56 -53.46 2 5 1 60 272.376 5 ↓
Hi High (pH 8-9.5) 2.16 6.22 -7.99 1 5 0 56 271.368 5 ↓

Analogs

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Popular Name: N-[[1-[(2R)-tetralin-2-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(2R)-tetralin-2-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) 1.96 7.34 -50.56 2 5 1 60 272.376 4 ↓
Hi High (pH 8-9.5) 1.96 6.12 -7.44 1 5 0 56 271.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(2S)-tetralin-2-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(2S)-tetralin-2-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) 1.96 7.35 -49.62 2 5 1 60 272.376 4 ↓
Hi High (pH 8-9.5) 1.96 6.13 -7.79 1 5 0 56 271.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[(2R)-tetralin-2-yl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[(2R)-tetralin-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) 2.47 7.76 -48.45 2 5 1 60 286.403 4 ↓
Hi High (pH 8-9.5) 2.47 6.54 -7.38 1 5 0 56 285.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[(2S)-tetralin-2-yl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[(2S)-tetralin-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) 2.47 7.77 -47.32 2 5 1 60 286.403 4 ↓
Hi High (pH 8-9.5) 2.47 6.55 -7.62 1 5 0 56 285.395 4 ↓

Parameters Provided:

ring.id = 151602
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 = 151602 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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