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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: 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1,3,5-trimethylpyrazol-4-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) 1.63 6.88 -46.31 2 4 1 38 271.388 2 ↓
Hi High (pH 8-9.5) 1.63 5.64 -7.49 1 4 0 33 270.38 2 ↓
Lo Low (pH 4.5-6) 1.63 7.01 -83.77 3 4 2 39 272.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1-methylpyrazol-4-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) 1.19 6.27 -46.78 2 4 1 38 243.334 2 ↓
Hi High (pH 8-9.5) 1.19 5.02 -7.76 1 4 0 33 242.326 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(1,3,5-trimethylpyrazo…

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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) 2.19 6.6 -40.79 2 4 1 38 285.415 2 ↓
Hi High (pH 8-9.5) 2.19 5.35 -8.04 1 4 0 33 284.407 2 ↓
Lo Low (pH 4.5-6) 2.19 6.73 -86.53 3 4 2 39 286.423 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(1,3,5-trimethylpyrazo…

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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) 2.19 7.66 -44.51 2 4 1 38 285.415 2 ↓
Hi High (pH 8-9.5) 2.19 6.41 -6.61 1 4 0 33 284.407 2 ↓
Lo Low (pH 4.5-6) 2.19 7.79 -84.49 3 4 2 39 286.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(1-ethylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(1-ethylpyrazol-4-yl)e…

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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) 2.12 7.01 -39.63 2 4 1 38 271.388 3 ↓
Hi High (pH 8-9.5) 2.12 5.75 -7.37 1 4 0 33 270.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(1-ethylpyrazol-4-yl)e…

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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) 2.12 7.55 -43.86 2 4 1 38 271.388 3 ↓
Hi High (pH 8-9.5) 2.12 6.3 -6.51 1 4 0 33 270.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(1-methylpyrazol-4-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) 1.75 6.69 -44.05 2 4 1 38 257.361 2 ↓
Hi High (pH 8-9.5) 1.75 5.43 -6.71 1 4 0 33 256.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(1-methylpyrazol-4-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) 1.75 6.15 -39.98 2 4 1 38 257.361 2 ↓
Hi High (pH 8-9.5) 1.75 4.89 -7.59 1 4 0 33 256.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-chloro-1,3-dimethyl-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) 2.21 6.87 -46.17 2 4 1 38 291.806 2 ↓
Hi High (pH 8-9.5) 2.21 5.62 -6.62 1 4 0 33 290.798 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1-ethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1-ethylpyrazol-4-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) 1.56 7.14 -46.6 2 4 1 38 257.361 3 ↓
Hi High (pH 8-9.5) 1.56 5.89 -7.55 1 4 0 33 256.353 3 ↓

Parameters Provided:

ring.id = 280348
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 = 280348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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