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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: 3-tert-butyl-4-(2-thienyl)isoxazol-5-amine 3-tert-butyl-4-(2-thienyl)isoxaz…

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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) 3.48 3.35 -6.03 2 3 0 52 222.313 2 ↓
Lo Low (pH 4.5-6) 3.48 3.3 -25.27 3 3 1 53 223.321 2 ↓

Analogs

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Popular Name: 3-(1-ethylpropyl)-4-(2-thienyl)isoxazol-5-amine 3-(1-ethylpropyl)-4-(2-thienyl)i…

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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) 3.50 4.49 -5.92 2 3 0 52 236.34 4 ↓
Lo Low (pH 4.5-6) 3.50 4.41 -25.95 3 3 1 53 237.348 4 ↓

Analogs

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Popular Name: 3-butyl-4-(2-thienyl)isoxazol-5-amine 3-butyl-4-(2-thienyl)isoxazol-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) 3.39 4.22 -5.86 2 3 0 52 222.313 4 ↓
Lo Low (pH 4.5-6) 3.39 4.08 -27.7 3 3 1 53 223.321 4 ↓

Analogs

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Popular Name: 3-propyl-4-(2-thienyl)isoxazol-5-amine 3-propyl-4-(2-thienyl)isoxazol-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) 2.83 3.44 -5.95 2 3 0 52 208.286 3 ↓
Lo Low (pH 4.5-6) 2.83 3.3 -27.3 3 3 1 53 209.294 3 ↓

Analogs

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Popular Name: 3-isopentyl-4-(2-thienyl)isoxazol-5-amine 3-isopentyl-4-(2-thienyl)isoxazo…

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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) 3.61 4.73 -5.75 2 3 0 52 236.34 4 ↓
Lo Low (pH 4.5-6) 3.61 4.59 -27.91 3 3 1 53 237.348 4 ↓

Analogs

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Popular Name: 3-[(1R)-1-methylbutyl]-4-(2-thienyl)isoxazol-5-amine 3-[(1R)-1-methylbutyl]-4-(2-thie…

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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) 3.72 4.64 -5.88 2 3 0 52 236.34 4 ↓
Lo Low (pH 4.5-6) 3.72 4.57 -26.41 3 3 1 53 237.348 4 ↓

Analogs

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Popular Name: 3-[(1S)-1-methylbutyl]-4-(2-thienyl)isoxazol-5-amine 3-[(1S)-1-methylbutyl]-4-(2-thie…

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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) 3.72 4.64 -5.87 2 3 0 52 236.34 4 ↓
Lo Low (pH 4.5-6) 3.72 4.57 -26.43 3 3 1 53 237.348 4 ↓

Analogs

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Popular Name: 3-methyl-4-(2-thienyl)isoxazol-5-amine 3-methyl-4-(2-thienyl)isoxazol-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) 1.76 1.94 -6.31 2 3 0 52 180.232 1 ↓
Lo Low (pH 4.5-6) 1.76 1.87 -27.91 3 3 1 53 181.24 1 ↓

Analogs

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Popular Name: 3-ethyl-4-(2-thienyl)isoxazol-5-amine 3-ethyl-4-(2-thienyl)isoxazol-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) 2.33 2.66 -6.14 2 3 0 52 194.259 2 ↓
Lo Low (pH 4.5-6) 2.33 2.52 -27.13 3 3 1 53 195.267 2 ↓

Analogs

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Popular Name: 3-isobutyl-4-(2-thienyl)isoxazol-5-amine 3-isobutyl-4-(2-thienyl)isoxazol…

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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) 3.08 3.74 -5.68 2 3 0 52 222.313 3 ↓
Lo Low (pH 4.5-6) 3.08 3.85 -27.03 3 3 1 53 223.321 3 ↓

Analogs

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Popular Name: 3-[(1R)-1-methylpropyl]-4-(2-thienyl)isoxazol-5-amine 3-[(1R)-1-methylpropyl]-4-(2-thi…

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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) 3.16 3.88 -5.92 2 3 0 52 222.313 3 ↓
Lo Low (pH 4.5-6) 3.16 3.81 -26.19 3 3 1 53 223.321 3 ↓

Analogs

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Popular Name: 3-[(1S)-1-methylpropyl]-4-(2-thienyl)isoxazol-5-amine 3-[(1S)-1-methylpropyl]-4-(2-thi…

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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) 3.16 3.88 -5.95 2 3 0 52 222.313 3 ↓
Lo Low (pH 4.5-6) 3.16 3.81 -26.18 3 3 1 53 223.321 3 ↓

Analogs

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Popular Name: 3-isopropyl-4-(2-thienyl)isoxazol-5-amine 3-isopropyl-4-(2-thienyl)isoxazo…

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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) 2.81 3.23 -6.06 2 3 0 52 208.286 2 ↓
Lo Low (pH 4.5-6) 2.81 3.16 -25.94 3 3 1 53 209.294 2 ↓

Analogs

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Popular Name: 3-(2,2-dimethylpropyl)-4-(2-thienyl)isoxazol-5-amine 3-(2,2-dimethylpropyl)-4-(2-thie…

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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) 3.66 4.17 -5.46 2 3 0 52 236.34 3 ↓
Lo Low (pH 4.5-6) 3.66 4.04 -26.96 3 3 1 53 237.348 3 ↓

Analogs

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Popular Name: 3-pentyl-4-(2-thienyl)isoxazol-5-amine 3-pentyl-4-(2-thienyl)isoxazol-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) 3.90 5 -5.82 2 3 0 52 236.34 5 ↓
Lo Low (pH 4.5-6) 3.90 4.86 -27.96 3 3 1 53 237.348 5 ↓

Analogs

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Popular Name: 3-[(1R)-1-ethylpentyl]-4-(2-thienyl)isoxazol-5-amine 3-[(1R)-1-ethylpentyl]-4-(2-thie…

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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) 4.57 6.03 -5.72 2 3 0 52 264.394 6 ↓
Lo Low (pH 4.5-6) 4.57 5.96 -26.67 3 3 1 53 265.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-ethylpentyl]-4-(2-thienyl)isoxazol-5-amine 3-[(1S)-1-ethylpentyl]-4-(2-thie…

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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) 4.57 6.03 -5.7 2 3 0 52 264.394 6 ↓
Lo Low (pH 4.5-6) 4.57 5.96 -26.43 3 3 1 53 265.402 6 ↓

Analogs

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Popular Name: 4-(2-thienyl)-3-(trifluoromethyl)isoxazol-5-amine 4-(2-thienyl)-3-(trifluoromethyl…

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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) 2.67 2.15 -6.46 2 3 0 52 234.202 2 ↓

Analogs

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Popular Name: 3-(2-methoxyethyl)-4-(2-thienyl)isoxazol-5-amine 3-(2-methoxyethyl)-4-(2-thienyl)…

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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) 1.94 1.73 -6.66 2 4 0 61 224.285 4 ↓
Lo Low (pH 4.5-6) 1.94 1.59 -28.77 3 4 1 63 225.293 4 ↓

Analogs

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Popular Name: 3-(2-ethoxyethyl)-4-(2-thienyl)isoxazol-5-amine 3-(2-ethoxyethyl)-4-(2-thienyl)i…

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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) 2.31 2.7 -6.56 2 4 0 61 238.312 5 ↓
Lo Low (pH 4.5-6) 2.31 2.56 -28.8 3 4 1 63 239.32 5 ↓

Analogs

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Popular Name: 4-(2-thienyl)isoxazol-5-amine 4-(2-thienyl)isoxazol-5-amine

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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) 1.54 1.37 -5.83 2 3 0 52 166.205 1 ↓
Lo Low (pH 4.5-6) 1.54 1.34 -32.55 3 3 1 53 167.213 1 ↓

Analogs

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Popular Name: 3-[(1R)-1,2-dimethylpropyl]-4-(2-thienyl)isoxazol-5-amine 3-[(1R)-1,2-dimethylpropyl]-4-(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) 3.40 4.32 -5.88 2 3 0 52 236.34 3 ↓
Lo Low (pH 4.5-6) 3.40 4.26 -26.01 3 3 1 53 237.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1,2-dimethylpropyl]-4-(2-thienyl)isoxazol-5-amine 3-[(1S)-1,2-dimethylpropyl]-4-(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) 3.40 4.32 -5.87 2 3 0 52 236.34 3 ↓
Lo Low (pH 4.5-6) 3.40 4.25 -25.97 3 3 1 53 237.348 3 ↓

Analogs

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Popular Name: 3-(methylsulfonylmethyl)-4-(2-thienyl)isoxazol-5-amine 3-(methylsulfonylmethyl)-4-(2-th…

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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) 1.15 -0.57 -17.18 2 5 0 86 258.324 3 ↓

Parameters Provided:

ring.id = 33250
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 = 33250 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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