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Analogs

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Popular Name: 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-4-amine 1-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) 0.31 0.54 -11.01 2 6 0 83 179.183 2 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-4-amine 3,5-dimethyl-1-[(4-methyl-1,2,5-…

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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) 0.76 1.71 -10.41 2 6 0 83 207.237 2 ↓

Analogs

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Popular Name: 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine 1-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) 0.51 1.55 -12.1 2 6 0 83 179.183 2 ↓

Analogs

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Popular Name: 4-bromo-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine 4-bromo-1-[(4-methyl-1,2,5-oxadi…

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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 2.17 -11.84 2 6 0 83 258.079 2 ↓

Analogs

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Popular Name: 4-chloro-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine 4-chloro-1-[(4-methyl-1,2,5-oxad…

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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) 1.11 2.07 -11.95 2 6 0 83 213.628 2 ↓

Analogs

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Popular Name: 4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine 4-methyl-1-[(4-methyl-1,2,5-oxad…

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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) 0.88 2.24 -17.24 2 6 0 83 193.21 2 ↓

Analogs

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Popular Name: 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxylic 1-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) 0.40 3.29 -51.76 0 7 -1 97 207.169 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carbaldehyde 3,5-dimethyl-1-[(4-methyl-1,2,5-…

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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) 1.06 3.5 -14.22 0 6 0 74 220.232 3 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-4-yl]methanol [3,5-dimethyl-1-[(4-methyl-1,2,5…

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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) 0.61 0.97 -12.93 1 6 0 77 222.248 3 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-4-yl]methanamine [3,5-dimethyl-1-[(4-methyl-1,2,5…

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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) 0.46 1.69 -49.3 3 6 1 84 222.272 3 ↓
Hi High (pH 8-9.5) 0.46 1.29 -10.36 2 6 0 83 221.264 3 ↓

Analogs

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Popular Name: 3-[(4-bromopyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazole 3-[(4-bromopyrazol-1-yl)methyl]-…

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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) 1.64 3.29 -11.08 0 5 0 57 243.064 2 ↓

Analogs

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Popular Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazole 3-[(4-bromo-3-nitro-pyrazol-1-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) 1.72 4.93 -17.56 0 8 0 103 288.061 3 ↓

Analogs

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Popular Name: 3-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazole 3-[(4-chloro-3-nitro-pyrazol-1-y…

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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) 1.59 4.85 -17.88 0 8 0 103 243.61 3 ↓

Analogs

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Popular Name: 3-methyl-4-(pyrazol-1-ylmethyl)-1,2,5-oxadiazole 3-methyl-4-(pyrazol-1-ylmethyl)-…

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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) 0.90 2.68 -11.14 0 5 0 57 164.168 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazole 3-[(3,5-dimethylpyrazol-1-yl)met…

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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) 1.34 3.77 -9.9 0 5 0 57 192.222 2 ↓

Parameters Provided:

ring.id = 460366
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 = 460366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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