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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)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (2R)-N-[(4,5-dimethyloxazol-2-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) 1.25 3.76 -39.76 2 5 1 60 249.338 5 ↓
Hi High (pH 8-9.5) 1.25 2.37 -10.58 1 5 0 56 248.33 5 ↓

Analogs

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Popular Name: (2S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (2S)-N-[(4,5-dimethyloxazol-2-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) 1.25 3.98 -35.32 2 5 1 60 249.338 5 ↓
Hi High (pH 8-9.5) 1.25 2.78 -10.54 1 5 0 56 248.33 5 ↓

Analogs

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Popular Name: (2R,3S)-N-[(5-tert-butyloxazol-2-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2R,3S)-N-[(5-tert-butyloxazol-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) 3.11 5.64 -42.98 2 5 1 60 291.419 6 ↓
Hi High (pH 8-9.5) 3.11 4.67 -7.03 1 5 0 56 290.411 6 ↓

Analogs

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Popular Name: (2R,3R)-N-[(5-tert-butyloxazol-2-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2R,3R)-N-[(5-tert-butyloxazol-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) 3.11 5.12 -42.93 2 5 1 60 291.419 6 ↓
Hi High (pH 8-9.5) 3.11 4.02 -8.53 1 5 0 56 290.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[(5-tert-butyloxazol-2-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2S,3S)-N-[(5-tert-butyloxazol-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) 3.11 5.15 -42.66 2 5 1 60 291.419 6 ↓
Hi High (pH 8-9.5) 3.11 4.12 -7.3 1 5 0 56 290.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[(5-tert-butyloxazol-2-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2S,3R)-N-[(5-tert-butyloxazol-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) 3.11 5.65 -43.78 2 5 1 60 291.419 6 ↓
Hi High (pH 8-9.5) 3.11 4.45 -8.56 1 5 0 56 290.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[(4,5-dimethyloxazol-2-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3R)-N-[(4,5-dimethyloxazol-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) 1.24 3.6 -44.53 2 5 1 60 249.338 5 ↓
Hi High (pH 8-9.5) 1.24 2.6 -8.53 1 5 0 56 248.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-[(4,5-dimethyloxazol-2-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3R)-N-[(4,5-dimethyloxazol-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) 1.24 3.06 -43.67 2 5 1 60 249.338 5 ↓
Hi High (pH 8-9.5) 1.24 1.96 -8.8 1 5 0 56 248.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3S)-N-[(4,5-dimethyloxazol-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) 1.24 3.11 -43.21 2 5 1 60 249.338 5 ↓
Hi High (pH 8-9.5) 1.24 2.02 -8.87 1 5 0 56 248.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3S)-N-[(4,5-dimethyloxazol-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) 1.24 3.59 -43.68 2 5 1 60 249.338 5 ↓
Hi High (pH 8-9.5) 1.24 2.39 -8.97 1 5 0 56 248.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[(5-tert-butyloxazol-2-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3R)-N-[(5-tert-butyloxazol-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) 2.74 4.98 -44 2 5 1 60 277.392 6 ↓
Hi High (pH 8-9.5) 2.74 3.77 -8.75 1 5 0 56 276.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-[(5-tert-butyloxazol-2-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3R)-N-[(5-tert-butyloxazol-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) 2.74 4.43 -43.14 2 5 1 60 277.392 6 ↓
Hi High (pH 8-9.5) 2.74 3.33 -8.79 1 5 0 56 276.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[(5-tert-butyloxazol-2-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3S)-N-[(5-tert-butyloxazol-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) 2.74 4.49 -42.78 2 5 1 60 277.392 6 ↓
Hi High (pH 8-9.5) 2.74 3.44 -7.41 1 5 0 56 276.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-N-[(5-tert-butyloxazol-2-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3S)-N-[(5-tert-butyloxazol-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) 2.74 4.97 -43.18 2 5 1 60 277.392 6 ↓
Hi High (pH 8-9.5) 2.74 3.98 -7.11 1 5 0 56 276.384 6 ↓

Analogs

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Popular Name: N-[(4,5-dimethyloxazol-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine N-[(4,5-dimethyloxazol-2-yl)meth…

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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) 0.92 3.02 -45.15 2 5 1 60 235.311 5 ↓
Hi High (pH 8-9.5) 0.92 1.66 -9.31 1 5 0 56 234.303 5 ↓

Parameters Provided:

ring.id = 378063
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 = 378063 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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