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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: (2R,4R)-2-propyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-propyl-N-(1H-pyrazol-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) 1.92 4.02 -39.79 3 4 1 55 224.328 5 ↓
Hi High (pH 8-9.5) 1.92 2.83 -5.62 2 4 0 50 223.32 5 ↓

Analogs

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Popular Name: (2S,4R)-2-propyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-propyl-N-(1H-pyrazol-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) 1.92 4.2 -39.48 3 4 1 55 224.328 5 ↓
Hi High (pH 8-9.5) 1.92 3.11 -5.48 2 4 0 50 223.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-propyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-propyl-N-(1H-pyrazol-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) 1.92 4.2 -38.47 3 4 1 55 224.328 5 ↓
Hi High (pH 8-9.5) 1.92 3.31 -5.37 2 4 0 50 223.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-propyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-propyl-N-(1H-pyrazol-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) 1.92 4.02 -39.14 3 4 1 55 224.328 5 ↓
Hi High (pH 8-9.5) 1.92 2.82 -5.72 2 4 0 50 223.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-2-methyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-2-methyl-N-(1H-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) 1.80 3.46 -39.91 3 4 1 55 224.328 4 ↓
Hi High (pH 8-9.5) 1.80 2.3 -5.72 2 4 0 50 223.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-2-methyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-2-methyl-N-(1H-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) 1.80 3.48 -40.14 3 4 1 55 224.328 4 ↓
Hi High (pH 8-9.5) 1.80 2.32 -5.68 2 4 0 50 223.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-2-methyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-2-methyl-N-(1H-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) 1.80 3.44 -39.43 3 4 1 55 224.328 4 ↓
Hi High (pH 8-9.5) 1.80 2.25 -5.75 2 4 0 50 223.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-2-methyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-2-methyl-N-(1H-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) 1.80 3.51 -39.26 3 4 1 55 224.328 4 ↓
Hi High (pH 8-9.5) 1.80 2.32 -5.78 2 4 0 50 223.32 4 ↓

Analogs

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Popular Name: (4R)-2,2-dimethyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (4R)-2,2-dimethyl-N-(1H-pyrazol-…

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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) 1.30 2.8 -39.89 3 4 1 55 210.301 3 ↓
Hi High (pH 8-9.5) 1.30 1.64 -5.87 2 4 0 50 209.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2-dimethyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (4S)-2,2-dimethyl-N-(1H-pyrazol-…

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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) 1.30 2.79 -39.26 3 4 1 55 210.301 3 ↓
Hi High (pH 8-9.5) 1.30 1.6 -5.95 2 4 0 50 209.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-N-(1H-pyrazol-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) 1.36 3.24 -39.75 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 1.36 2.06 -5.73 2 4 0 50 209.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-N-(1H-pyrazol-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) 1.36 3.44 -39.37 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 1.36 2.34 -5.53 2 4 0 50 209.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-N-(1H-pyrazol-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) 1.36 3.43 -38.34 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 1.36 2.54 -5.47 2 4 0 50 209.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-N-(1H-pyrazol-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) 1.36 3.24 -39.09 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 1.36 2.05 -5.84 2 4 0 50 209.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-methyl-N-(1H-pyrazol-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) 0.85 2.42 -39.6 3 4 1 55 196.274 3 ↓
Hi High (pH 8-9.5) 0.85 1.24 -5.89 2 4 0 50 195.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-methyl-N-(1H-pyrazol-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) 0.85 2.14 -39.26 3 4 1 55 196.274 3 ↓
Hi High (pH 8-9.5) 0.85 0.98 -5.85 2 4 0 50 195.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-methyl-N-(1H-pyrazol-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) 0.85 2.14 -38.66 3 4 1 55 196.274 3 ↓
Hi High (pH 8-9.5) 0.85 0.95 -5.92 2 4 0 50 195.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-methyl-N-(1H-pyrazol-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) 0.85 2.42 -38.92 3 4 1 55 196.274 3 ↓
Hi High (pH 8-9.5) 0.85 1.22 -5.99 2 4 0 50 195.266 3 ↓

Analogs

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Popular Name: (2S,4R)-2-isopropyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-isopropyl-N-(1H-pyrazo…

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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) 1.60 3.77 -40.09 3 4 1 55 224.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-isopropyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-isopropyl-N-(1H-pyrazo…

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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) 1.60 4.03 -39.59 3 4 1 55 224.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-isopropyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-isopropyl-N-(1H-pyrazo…

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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) 1.60 3.96 -38.46 3 4 1 55 224.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-isopropyl-N-(1H-pyrazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-isopropyl-N-(1H-pyrazo…

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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) 1.60 3.83 -39.3 3 4 1 55 224.328 4 ↓

Parameters Provided:

ring.id = 490196
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 = 490196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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