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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: (1R)-1-(7-methyl-[1,2,4]triazolo[3,4-f]pyrimidin-3-yl)-1-phenyl-ethanamine (1R)-1-(7-methyl-[1,2,4]triazolo…

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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) 1.60 7.12 -55.48 3 5 1 71 254.317 2 ↓
Mid Mid (pH 6-8) 1.60 7.01 -9.91 2 5 0 69 253.309 2 ↓

Analogs

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Popular Name: (1S)-1-(7-methyl-[1,2,4]triazolo[3,4-f]pyrimidin-3-yl)-1-phenyl-ethanamine (1S)-1-(7-methyl-[1,2,4]triazolo…

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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) 1.60 7.26 -56.05 3 5 1 71 254.317 2 ↓
Mid Mid (pH 6-8) 1.60 7.08 -10.2 2 5 0 69 253.309 2 ↓

Analogs

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Popular Name: 7-chloro-3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(3-chlorophenyl)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) 3.38 10.04 -10.7 0 4 0 43 279.13 2 ↓

Analogs

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Popular Name: 7-chloro-3-[(2-chloro-6-fluoro-phenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(2-chloro-6-fluoro-p…

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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 9.92 -8.49 0 4 0 43 297.12 2 ↓

Analogs

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Popular Name: 7-chloro-3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(2-fluorophenyl)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) 2.85 9.58 -14.4 0 4 0 43 262.675 2 ↓

Analogs

53139966
53139966
53144528
53144528

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Popular Name: 7-chloro-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(4-chlorophenyl)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) 3.41 10.05 -12.32 0 4 0 43 279.13 2 ↓

Analogs

53139966
53139966
53144528
53144528

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-3-(o-tolylmethyl)-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-(o-tolylmethyl)-[1,2,…

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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) 3.13 10.15 -10.76 0 4 0 43 258.712 2 ↓

Analogs

53139966
53139966

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(2-chlorophenyl)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) 3.36 9.98 -12.72 0 4 0 43 279.13 2 ↓

Analogs

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Popular Name: 7-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(3-fluorophenyl)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) 2.87 9.6 -11.34 0 4 0 43 262.675 2 ↓

Analogs

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Popular Name: 7-chloro-3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(3-methoxyphenyl)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) 2.76 8.83 -11.34 0 5 0 52 274.711 3 ↓

Analogs

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Popular Name: 7-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(2-methoxyphenyl)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) 2.74 8.89 -12.78 0 5 0 52 274.711 3 ↓

Analogs

53139966
53139966

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Popular Name: 7-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(4-fluorophenyl)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) 2.90 9.59 -13.21 0 4 0 43 262.675 2 ↓

Analogs

53139966
53139966

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Popular Name: 3-[(4-bromophenyl)methyl]-7-chloro-[1,2,4]triazolo[3,4-f]pyrimidine 3-[(4-bromophenyl)methyl]-7-chlo…

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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) 3.54 10.15 -12.27 0 4 0 43 323.581 2 ↓

Analogs

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Popular Name: 7-chloro-3-[(1S)-1-phenylpropyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(1S)-1-phenylpropyl]…

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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) 3.21 10.54 -10.51 0 4 0 43 272.739 3 ↓

Analogs

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Popular Name: 7-chloro-3-[(1R)-1-phenylpropyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(1R)-1-phenylpropyl]…

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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) 3.21 10.35 -10.78 0 4 0 43 272.739 3 ↓

Analogs

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Popular Name: 7-chloro-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-[(3,4-dimethoxyphenyl…

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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) 2.38 8.72 -15.18 0 6 0 62 304.737 4 ↓

Analogs

53139966
53139966
53144528
53144528

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-3-(p-tolylmethyl)-[1,2,4]triazolo[3,4-f]pyrimidine 7-chloro-3-(p-tolylmethyl)-[1,2,…

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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) 3.18 10.2 -11.19 0 4 0 43 258.712 2 ↓

Parameters Provided:

ring.id = 30212
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 = 30212 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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