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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazole-5-thiol 1-[(4R)-4,5,6,7-tetrahydrobenzot…

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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 5.78 -38.65 0 4 -1 44 237.333 1 ↓

Analogs

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Popular Name: 1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazole-5-thiol 1-[(4S)-4,5,6,7-tetrahydrobenzot…

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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 -40.03 0 4 -1 44 237.333 1 ↓

Analogs

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Popular Name: 2-[1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]sulfanylacetic 2-[1-[(4R)-4,5,6,7-tetrahydroben…

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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) 1.47 7.09 -41.75 0 6 -1 84 295.369 4 ↓

Analogs

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Popular Name: 2-[1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]sulfanylacetic 2-[1-[(4S)-4,5,6,7-tetrahydroben…

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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) 1.47 7.18 -42.42 0 6 -1 84 295.369 4 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazole 5-(chloromethyl)-1-[(4R)-4,5,6,7…

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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) 1.99 6.43 -9.97 0 4 0 44 254.746 2 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazole 5-(chloromethyl)-1-[(4S)-4,5,6,7…

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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) 1.99 6.49 -10.85 0 4 0 44 254.746 2 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(4R)-4,5,6,7-tet…

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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) 2.10 7.39 -55.89 2 5 1 60 292.432 5 ↓
Hi High (pH 8-9.5) 2.10 6.03 -8.37 1 5 0 56 291.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(4S)-4,5,6,7-tet…

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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) 2.10 7.44 -52.77 2 5 1 60 292.432 5 ↓
Hi High (pH 8-9.5) 2.10 6.09 -9.04 1 5 0 56 291.424 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(4R)-4,5,6,7-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) 0.96 5.08 -56.91 2 6 1 69 294.404 6 ↓
Mid Mid (pH 6-8) 0.96 3.74 -10.37 1 6 0 65 293.396 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(4S)-4,5,6,7-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) 0.96 5.13 -53.65 2 6 1 69 294.404 6 ↓
Mid Mid (pH 6-8) 0.96 3.79 -11.01 1 6 0 65 293.396 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methanamine [1-[(4R)-4,5,6,7-tetrahydrobenzo…

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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) 0.60 3.2 -62.76 3 5 1 71 236.324 2 ↓
Hi High (pH 8-9.5) 0.60 2.82 -9.43 2 5 0 70 235.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methanamine [1-[(4S)-4,5,6,7-tetrahydrobenzo…

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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) 0.60 3.27 -59.64 3 5 1 71 236.324 2 ↓
Hi High (pH 8-9.5) 0.60 2.88 -10.15 2 5 0 70 235.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(4R)-4,5,6,7-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) 0.97 5.08 -56.16 2 5 1 60 250.351 3 ↓
Hi High (pH 8-9.5) 0.97 3.65 -8.73 1 5 0 56 249.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(4S)-4,5,6,7-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) 0.97 5.14 -53.26 2 5 1 60 250.351 3 ↓
Hi High (pH 8-9.5) 0.97 3.71 -9.37 1 5 0 56 249.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(4R)-4,5,6,7-tetrahydrobe…

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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) 1.35 5.94 -55.18 2 5 1 60 264.378 4 ↓
Hi High (pH 8-9.5) 1.35 4.58 -8.53 1 5 0 56 263.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(4S)-4,5,6,7-tetrahydrobe…

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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) 1.35 6 -52.28 2 5 1 60 264.378 4 ↓
Hi High (pH 8-9.5) 1.35 4.64 -9.16 1 5 0 56 263.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(4R)-4,5,6,7-tetrahydrobe…

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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) 1.85 6.69 -56.17 2 5 1 60 278.405 5 ↓
Hi High (pH 8-9.5) 1.85 5.35 -8.43 1 5 0 56 277.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(4S)-4,5,6,7-tetrahydrobe…

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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) 1.85 6.75 -53.13 2 5 1 60 278.405 5 ↓
Hi High (pH 8-9.5) 1.85 5.4 -9.08 1 5 0 56 277.397 5 ↓

Analogs

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Popular Name: N-[[1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(4R)-4,5,6,7-tetrahydrobe…

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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) 1.65 6.47 -52.17 2 5 1 60 278.405 4 ↓
Hi High (pH 8-9.5) 1.65 5.26 -8.21 1 5 0 56 277.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(4S)-4,5,6,7-tetrahydrobe…

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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) 1.65 6.53 -49.29 2 5 1 60 278.405 4 ↓
Hi High (pH 8-9.5) 1.65 5.31 -8.9 1 5 0 56 277.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[(4R)-4,5,6,7-tet…

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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 6.9 -49.97 2 5 1 60 292.432 4 ↓
Hi High (pH 8-9.5) 2.16 5.67 -8.08 1 5 0 56 291.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[(4S)-4,5,6,7-tet…

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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 6.96 -46.9 2 5 1 60 292.432 4 ↓
Hi High (pH 8-9.5) 2.16 5.73 -8.73 1 5 0 56 291.424 4 ↓

Parameters Provided:

ring.id = 212077
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 = 212077 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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