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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: N-[2-(4-fluorophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[2-(4-fluorophenyl)ethyl]-4,6-…

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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) 3.43 2.71 -9.48 1 6 0 69 278.287 6 ↓

Analogs

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Popular Name: 4,6-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[2-(4-methoxyphe…

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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) 3.33 1.94 -9.91 1 7 0 78 290.323 7 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[2-(2-fluorophenyl)ethyl]-4,6-…

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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) 3.38 2.69 -9.39 1 6 0 69 278.287 6 ↓

Analogs

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Popular Name: (1R)-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-phenyl-ethanol (1R)-2-[(4,6-dimethoxy-1,3,5-tri…

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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) 2.28 -0.47 -8.73 2 7 0 89 276.296 6 ↓

Analogs

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Popular Name: (1S)-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-phenyl-ethanol (1S)-2-[(4,6-dimethoxy-1,3,5-tri…

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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) 2.28 -0.55 -8.76 2 7 0 89 276.296 6 ↓

Analogs

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Popular Name: N-[2-(3-fluorophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[2-(3-fluorophenyl)ethyl]-4,6-…

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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) 3.41 2.71 -9.54 1 6 0 69 278.287 6 ↓

Analogs

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Popular Name: 4,6-dimethoxy-N-(2-methyl-2-phenyl-propyl)-1,3,5-triazin-2-amine 4,6-dimethoxy-N-(2-methyl-2-phen…

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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) 4.24 3.63 -7.37 1 6 0 69 288.351 6 ↓

Analogs

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Popular Name: 4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethyl]phenol 4-[2-[(4,6-dimethoxy-1,3,5-triaz…

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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) 2.79 -0.22 -10.13 2 7 0 89 276.296 6 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[2-(4-chlorophenyl)ethyl]-4,6-…

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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) 3.95 3.16 -8.8 1 6 0 69 294.742 6 ↓

Analogs

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Popular Name: 4,6-dimethoxy-N-[2-(m-tolyl)ethyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[2-(m-tolyl)ethy…

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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) 3.69 3.31 -8.23 1 6 0 69 274.324 6 ↓

Analogs

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Popular Name: N-[2-(3,5-difluorophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[2-(3,5-difluorophenyl)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) 3.52 2.78 -9.45 1 6 0 69 296.277 6 ↓

Analogs

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Popular Name: (1R)-1-(4-aminophenyl)-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethanol (1R)-1-(4-aminophenyl)-2-[(4,6-d…

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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) 1.36 -2.59 -9.44 4 8 0 115 291.311 6 ↓

Analogs

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Popular Name: (1S)-1-(4-aminophenyl)-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethanol (1S)-1-(4-aminophenyl)-2-[(4,6-d…

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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) 1.36 -2.68 -9.53 4 8 0 115 291.311 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-aminophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[2-(4-aminophenyl)ethyl]-4,6-d…

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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) 2.35 0.52 -8.85 3 7 0 95 275.312 6 ↓

Analogs

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Popular Name: (1R)-N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-phenyl-ethane-1,2-diamine (1R)-N'-(4-chloro-6-methoxy-1,3,…

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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) 0.80 3.03 -50.66 4 6 1 88 280.739 5 ↓
Hi High (pH 8-9.5) 0.80 2.69 -5.99 3 6 0 86 279.731 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(4-chloro-6-methoxy-1,3,…

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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) 0.80 3.03 -50.63 4 6 1 88 280.739 5 ↓
Hi High (pH 8-9.5) 0.80 2.59 -5.58 3 6 0 86 279.731 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-phenyl-ethane-1,2-diamine (1R)-N'-(4,6-dimethoxy-1,3,5-tri…

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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) 0.58 0.22 -50.75 4 7 1 97 276.32 6 ↓
Hi High (pH 8-9.5) 0.58 -0.23 -7.72 3 7 0 95 275.312 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(4,6-dimethoxy-1,3,5-tri…

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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) 0.58 0.22 -50.68 4 7 1 97 276.32 6 ↓
Hi High (pH 8-9.5) 0.58 -0.14 -7.97 3 7 0 95 275.312 6 ↓

Parameters Provided:

ring.id = 217053
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 = 217053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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