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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: 5-tetrahydropyran-4-yl-1H-tetrazole 5-tetrahydropyran-4-yl-1H-tetrazole

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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) -0.29 0.51 -37.98 0 5 -1 62 153.165 1 ↓
Mid Mid (pH 6-8) -0.29 0.49 -6.03 1 5 0 64 154.173 1 ↓
Mid Mid (pH 6-8) -0.29 0.72 -7.82 1 5 0 64 154.173 1 ↓

Analogs

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Popular Name: (2R,4S)-2-propyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4S)-2-propyl-4-(1H-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) 0.61 0.19 -39.73 3 6 0 90 211.269 3 ↓
Hi High (pH 8-9.5) 0.61 -0.02 -35.5 2 6 -1 88 210.261 3 ↓
Lo Low (pH 4.5-6) 0.61 0.19 -44.18 4 6 1 91 212.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-propyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4S)-2-propyl-4-(1H-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) 0.61 -0.24 -42.6 3 6 0 90 211.269 3 ↓
Hi High (pH 8-9.5) 0.61 0.22 -35.12 2 6 -1 88 210.261 3 ↓
Lo Low (pH 4.5-6) 0.61 -0.24 -46.16 4 6 1 91 212.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-propyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4R)-2-propyl-4-(1H-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) 0.61 -0.2 -42.4 3 6 0 90 211.269 3 ↓
Hi High (pH 8-9.5) 0.61 0.21 -35.18 2 6 -1 88 210.261 3 ↓
Lo Low (pH 4.5-6) 0.61 -0.21 -46.17 4 6 1 91 212.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-propyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4R)-2-propyl-4-(1H-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) 0.61 0.19 -39.8 3 6 0 90 211.269 3 ↓
Hi High (pH 8-9.5) 0.61 -0.06 -38.47 2 6 -1 88 210.261 3 ↓
Lo Low (pH 4.5-6) 0.61 0.19 -44.31 4 6 1 91 212.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4S)-2-methyl-4-(1H-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) -0.46 -1.41 -39.85 3 6 0 90 183.215 1 ↓
Hi High (pH 8-9.5) -0.46 -1.61 -35.62 2 6 -1 88 182.207 1 ↓
Lo Low (pH 4.5-6) -0.46 -1.41 -43.77 4 6 1 91 184.223 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4S)-2-methyl-4-(1H-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) -0.46 -1.36 -37.49 3 6 0 90 183.215 1 ↓
Hi High (pH 8-9.5) -0.46 -1.35 -35.31 2 6 -1 88 182.207 1 ↓
Lo Low (pH 4.5-6) -0.46 -1.36 -41.06 4 6 1 91 184.223 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4R)-2-methyl-4-(1H-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) -0.46 -1.34 -37.47 3 6 0 90 183.215 1 ↓
Hi High (pH 8-9.5) -0.46 -1.35 -35.41 2 6 -1 88 182.207 1 ↓
Lo Low (pH 4.5-6) -0.46 -1.34 -41.19 4 6 1 91 184.223 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4R)-2-methyl-4-(1H-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) -0.46 -1.41 -39.86 3 6 0 90 183.215 1 ↓
Hi High (pH 8-9.5) -0.46 -1.66 -38.65 2 6 -1 88 182.207 1 ↓
Lo Low (pH 4.5-6) -0.46 -1.41 -43.85 4 6 1 91 184.223 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-2-methyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-2-methyl-4-(1H-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) 0.49 0 -37.52 3 6 0 90 211.269 2 ↓
Hi High (pH 8-9.5) 0.49 -0.02 -35.74 2 6 -1 88 210.261 2 ↓
Lo Low (pH 4.5-6) 0.49 0 -41.96 4 6 1 91 212.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-2-methyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-2-methyl-4-(1H-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) 0.49 -0.99 -41.57 3 6 0 90 211.269 2 ↓
Hi High (pH 8-9.5) 0.49 -0.05 -35.59 2 6 -1 88 210.261 2 ↓
Lo Low (pH 4.5-6) 0.49 -0.98 -44.77 4 6 1 91 212.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-2-methyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-2-methyl-4-(1H-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) 0.49 -0.08 -36.56 3 6 0 90 211.269 2 ↓
Hi High (pH 8-9.5) 0.49 -0.06 -35.65 2 6 -1 88 210.261 2 ↓
Lo Low (pH 4.5-6) 0.49 -0.07 -41.54 4 6 1 91 212.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-2-methyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-2-methyl-4-(1H-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) 0.49 0.02 -37.44 3 6 0 90 211.269 2 ↓
Hi High (pH 8-9.5) 0.49 0.01 -35.8 2 6 -1 88 210.261 2 ↓
Lo Low (pH 4.5-6) 0.49 0.02 -42 4 6 1 91 212.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-4-(1H-tetrazol-5…

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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) 0.05 -0.58 -39.57 3 6 0 90 197.242 2 ↓
Hi High (pH 8-9.5) 0.05 -0.79 -35.54 2 6 -1 88 196.234 2 ↓
Lo Low (pH 4.5-6) 0.05 -0.58 -43.85 4 6 1 91 198.25 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-4-(1H-tetrazol-5…

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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) 0.05 -1.01 -42.68 3 6 0 90 197.242 2 ↓
Hi High (pH 8-9.5) 0.05 -0.55 -35.2 2 6 -1 88 196.234 2 ↓
Lo Low (pH 4.5-6) 0.05 -1.01 -46.18 4 6 1 91 198.25 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-4-(1H-tetrazol-5…

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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) 0.05 -0.98 -42.46 3 6 0 90 197.242 2 ↓
Hi High (pH 8-9.5) 0.05 -0.55 -35.27 2 6 -1 88 196.234 2 ↓
Lo Low (pH 4.5-6) 0.05 -0.98 -46.25 4 6 1 91 198.25 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-4-(1H-tetrazol-5…

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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) 0.05 -0.58 -39.62 3 6 0 90 197.242 2 ↓
Hi High (pH 8-9.5) 0.05 -0.84 -38.5 2 6 -1 88 196.234 2 ↓
Lo Low (pH 4.5-6) 0.05 -0.59 -44.02 4 6 1 91 198.25 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2-dimethyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (4S)-2,2-dimethyl-4-(1H-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) -0.01 -0.71 -37.51 3 6 0 90 197.242 1 ↓
Hi High (pH 8-9.5) -0.01 -0.69 -35.64 2 6 -1 88 196.234 1 ↓
Lo Low (pH 4.5-6) -0.01 -0.71 -41.67 4 6 1 91 198.25 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,2-dimethyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (4R)-2,2-dimethyl-4-(1H-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) -0.01 -0.69 -37.52 3 6 0 90 197.242 1 ↓
Hi High (pH 8-9.5) -0.01 -0.7 -35.64 2 6 -1 88 196.234 1 ↓
Lo Low (pH 4.5-6) -0.01 -0.69 -41.74 4 6 1 91 198.25 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-isopropyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4S)-2-isopropyl-4-(1H-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) 0.29 -0.05 -39.33 3 6 0 90 211.269 2 ↓
Hi High (pH 8-9.5) 0.29 -0.27 -35.73 2 6 -1 88 210.261 2 ↓
Lo Low (pH 4.5-6) 0.29 -0.05 -43.94 4 6 1 91 212.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-isopropyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4S)-2-isopropyl-4-(1H-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) 0.29 -0.42 -42.53 3 6 0 90 211.269 2 ↓
Hi High (pH 8-9.5) 0.29 0.04 -35.23 2 6 -1 88 210.261 2 ↓
Lo Low (pH 4.5-6) 0.29 -0.42 -46.36 4 6 1 91 212.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-isopropyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2S,4R)-2-isopropyl-4-(1H-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) 0.29 -0.45 -42.48 3 6 0 90 211.269 2 ↓
Hi High (pH 8-9.5) 0.29 0.03 -35.28 2 6 -1 88 210.261 2 ↓
Lo Low (pH 4.5-6) 0.29 -0.45 -46.4 4 6 1 91 212.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-isopropyl-4-(1H-tetrazol-5-yl)tetrahydropyran-4-amine (2R,4R)-2-isopropyl-4-(1H-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) 0.29 0.02 -39.67 3 6 0 90 211.269 2 ↓
Hi High (pH 8-9.5) 0.29 -0.23 -38.64 2 6 -1 88 210.261 2 ↓
Lo Low (pH 4.5-6) 0.29 0.01 -44.28 4 6 1 91 212.277 2 ↓

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ring.id = 262393
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 262393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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