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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45652721
45652721
45652723
45652723

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Popular Name: 1-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidin-4-amine 1-methyl-N-[3-(1-methyltetrazol-…

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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) 2.35 5.95 -47.29 2 6 1 60 273.364 3 ↓

Analogs

45652721
45652721
45652723
45652723

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Popular Name: 1-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidin-4-amine 1-ethyl-N-[3-(1-methyltetrazol-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) 2.73 6.59 -46.35 2 6 1 60 287.391 4 ↓

Analogs

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Popular Name: 1-methyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine 1-methyl-N-[3-(1H-tetrazol-5-yl)…

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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) 2.29 4.91 -69.39 2 6 0 69 258.329 3 ↓
Lo Low (pH 4.5-6) 2.29 5 -44.72 3 6 1 71 259.337 3 ↓

Analogs

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Popular Name: 1-isopropyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine 1-isopropyl-N-[3-(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) 2.96 6.1 -66.57 2 6 0 69 286.383 4 ↓
Lo Low (pH 4.5-6) 2.96 6.18 -42.55 3 6 1 71 287.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine 1-ethyl-N-[3-(1H-tetrazol-5-yl)p…

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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) 2.66 5.57 -68.15 2 6 0 69 272.356 4 ↓
Lo Low (pH 4.5-6) 2.66 5.66 -43.8 3 6 1 71 273.364 4 ↓

Analogs

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Popular Name: 1-propyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine 1-propyl-N-[3-(1H-tetrazol-5-yl)…

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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) 3.17 6.32 -68.66 2 6 0 69 286.383 5 ↓
Lo Low (pH 4.5-6) 3.17 6.4 -44.6 3 6 1 71 287.391 5 ↓

Analogs

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Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-N-[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) 3.09 6.09 -67.95 2 6 0 69 286.383 3 ↓
Lo Low (pH 4.5-6) 3.09 6.17 -43.06 3 6 1 71 287.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-1,2,5-trimethyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine (2S,4S,5R)-1,2,5-trimethyl-N-[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) 3.09 6.42 -64.53 2 6 0 69 286.383 3 ↓
Lo Low (pH 4.5-6) 3.09 6.51 -41.45 3 6 1 71 287.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-1,2,5-trimethyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine (2R,4R,5R)-1,2,5-trimethyl-N-[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) 3.09 5.8 -68.43 2 6 0 69 286.383 3 ↓
Lo Low (pH 4.5-6) 3.09 5.89 -43.52 3 6 1 71 287.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-1,2,5-trimethyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine (2S,4R,5R)-1,2,5-trimethyl-N-[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) 3.09 6.11 -68.38 2 6 0 69 286.383 3 ↓
Lo Low (pH 4.5-6) 3.09 6.2 -43.49 3 6 1 71 287.391 3 ↓

Analogs

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Popular Name: 1-[4-[3-(1H-tetrazol-5-yl)anilino]-1-piperidyl]ethanone 1-[4-[3-(1H-tetrazol-5-yl)anilin…

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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 3.9 -48.44 1 7 -1 85 285.331 3 ↓
Lo Low (pH 4.5-6) 1.65 3.93 -15.29 2 7 0 87 286.339 3 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine 1-prop-2-ynyl-N-[3-(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) 2.45 6.12 -70.4 2 6 0 69 282.351 4 ↓
Mid Mid (pH 6-8) 2.45 3.83 -42.69 1 6 -1 68 281.343 4 ↓
Lo Low (pH 4.5-6) 2.45 6.2 -46.38 3 6 1 71 283.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(1H-tetrazol-5-yl)anilino]piperidine-1-carboxamide 4-[3-(1H-tetrazol-5-yl)anilino]p…

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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) 1.56 1.32 -49.08 3 8 -1 111 286.319 3 ↓
Lo Low (pH 4.5-6) 1.56 1.4 -15.97 4 8 0 113 287.327 3 ↓

Parameters Provided:

ring.id = 127470
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 = 127470 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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