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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: 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(4-fluorophenyl)ethyl]…

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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) 2.95 9.97 -9.56 2 4 0 57 284.338 2 ↓
Lo Low (pH 4.5-6) 2.95 10.13 -30.75 3 4 1 58 285.346 2 ↓

Analogs

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Popular Name: 7-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(4-fluorophenyl)ethyl]…

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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) 2.95 9.95 -9.58 2 4 0 57 284.338 2 ↓
Lo Low (pH 4.5-6) 2.95 10.18 -30.97 3 4 1 58 285.346 2 ↓

Analogs

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Popular Name: 7-[(1S)-1-(2-chlorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(2-chlorophenyl)ethyl]…

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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) 3.41 10.22 -7.52 2 4 0 57 300.793 2 ↓
Lo Low (pH 4.5-6) 3.41 10.44 -27.77 3 4 1 58 301.801 2 ↓

Analogs

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Popular Name: 7-[(1R)-1-(2-chlorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(2-chlorophenyl)ethyl]…

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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) 3.41 10.3 -7.54 2 4 0 57 300.793 2 ↓
Lo Low (pH 4.5-6) 3.41 10.51 -27.7 3 4 1 58 301.801 2 ↓

Analogs

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Popular Name: 7-[(1S)-1-(3-chlorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(3-chlorophenyl)ethyl]…

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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) 3.44 10.41 -7.86 2 4 0 57 300.793 2 ↓
Lo Low (pH 4.5-6) 3.44 10.57 -29.35 3 4 1 58 301.801 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-(3-chlorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(3-chlorophenyl)ethyl]…

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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) 3.44 10.39 -7.96 2 4 0 57 300.793 2 ↓
Lo Low (pH 4.5-6) 3.44 10.62 -29.56 3 4 1 58 301.801 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1S)-1-(4-chlorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(4-chlorophenyl)ethyl]…

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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) 3.46 10.42 -8.93 2 4 0 57 300.793 2 ↓
Lo Low (pH 4.5-6) 3.46 10.58 -29.93 3 4 1 58 301.801 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-(4-chlorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(4-chlorophenyl)ethyl]…

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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) 3.46 10.4 -8.86 2 4 0 57 300.793 2 ↓
Lo Low (pH 4.5-6) 3.46 10.63 -30.11 3 4 1 58 301.801 2 ↓

Analogs

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Popular Name: 7-[(1S)-1-(4-bromophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(4-bromophenyl)ethyl]-…

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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) 3.59 10.53 -8.8 2 4 0 57 345.244 2 ↓
Lo Low (pH 4.5-6) 3.59 10.69 -30.01 3 4 1 58 346.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-(4-bromophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(4-bromophenyl)ethyl]-…

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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) 3.59 10.51 -8.79 2 4 0 57 345.244 2 ↓
Lo Low (pH 4.5-6) 3.59 10.74 -30.18 3 4 1 58 346.252 2 ↓

Analogs

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Popular Name: 5,6-dimethyl-7-[(1R)-1-(o-tolyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1R)-1-(o-tolyl)…

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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) 3.18 10.34 -9.3 2 4 0 57 280.375 2 ↓
Lo Low (pH 4.5-6) 3.18 10.51 -27.54 3 4 1 58 281.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-7-[(1S)-1-(o-tolyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1S)-1-(o-tolyl)…

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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) 3.18 10.35 -9.28 2 4 0 57 280.375 2 ↓
Lo Low (pH 4.5-6) 3.18 10.59 -27.55 3 4 1 58 281.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1S)-1-(2-fluorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(2-fluorophenyl)ethyl]…

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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) 2.90 9.93 -7.84 2 4 0 57 284.338 2 ↓
Lo Low (pH 4.5-6) 2.90 10.07 -28.29 3 4 1 58 285.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-(2-fluorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(2-fluorophenyl)ethyl]…

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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) 2.90 9.93 -7.91 2 4 0 57 284.338 2 ↓
Lo Low (pH 4.5-6) 2.90 10.19 -28.36 3 4 1 58 285.346 2 ↓

Analogs

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Popular Name: 7-[(1S)-1-(3-fluorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(3-fluorophenyl)ethyl]…

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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) 2.92 9.97 -8.36 2 4 0 57 284.338 2 ↓
Lo Low (pH 4.5-6) 2.92 10.13 -30.12 3 4 1 58 285.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-(3-fluorophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(3-fluorophenyl)ethyl]…

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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) 2.92 9.95 -8.44 2 4 0 57 284.338 2 ↓
Lo Low (pH 4.5-6) 2.92 10.18 -30.38 3 4 1 58 285.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-7-[(1R)-1-(p-tolyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1R)-1-(p-tolyl)…

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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) 3.23 10.57 -8.99 2 4 0 57 280.375 2 ↓
Lo Low (pH 4.5-6) 3.23 10.75 -27.48 3 4 1 58 281.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-7-[(1S)-1-(p-tolyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1S)-1-(p-tolyl)…

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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) 3.23 10.56 -9.04 2 4 0 57 280.375 2 ↓
Lo Low (pH 4.5-6) 3.23 10.86 -27.5 3 4 1 58 281.383 2 ↓

Analogs

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Popular Name: 7-[(1S)-1-(3-bromophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(3-bromophenyl)ethyl]-…

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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) 3.57 10.52 -7.85 2 4 0 57 345.244 2 ↓
Lo Low (pH 4.5-6) 3.57 10.68 -29.39 3 4 1 58 346.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-(3-bromophenyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(3-bromophenyl)ethyl]-…

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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) 3.57 10.5 -7.86 2 4 0 57 345.244 2 ↓
Lo Low (pH 4.5-6) 3.57 10.73 -29.61 3 4 1 58 346.252 2 ↓

Analogs

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Popular Name: 7-[(3,4-difluorophenyl)methyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(3,4-difluorophenyl)methyl]-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) 2.67 9.18 -13.27 2 4 0 57 288.301 2 ↓

Analogs

26672348
26672348
37353088
37353088

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Popular Name: 7-[(4-bromophenyl)methyl]-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(4-bromophenyl)methyl]-2,5,6-…

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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) 3.32 9.66 -10.13 2 4 0 57 345.244 2 ↓

Parameters Provided:

ring.id = 572763
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 = 572763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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