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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: 6-[(1S)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-N4-phenyl-1,3,5-triazine-2,4-diamine 6-[(1S)-1-[4-(2,2-difluoroethyl)…

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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 7.61 -10.21 3 7 0 83 363.416 6 ↓
Mid Mid (pH 6-8) 2.35 8.64 -30.21 4 7 1 84 364.424 6 ↓
Mid Mid (pH 6-8) 2.35 9.82 -35.42 4 7 1 84 364.424 6 ↓

Analogs

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Popular Name: 6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-N4-phenyl-1,3,5-triazine-2,4-diamine 6-[(1R)-1-[4-(2,2-difluoroethyl)…

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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 7.55 -9.17 3 7 0 83 363.416 6 ↓
Mid Mid (pH 6-8) 2.35 8.32 -30.17 4 7 1 84 364.424 6 ↓
Mid Mid (pH 6-8) 2.35 9.82 -34.01 4 7 1 84 364.424 6 ↓

Analogs

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Popular Name: 6-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-N4-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine 6-[[4-(2,2-difluoroethyl)piperaz…

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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) 1.95 7.37 -9.67 3 7 0 83 367.379 6 ↓
Mid Mid (pH 6-8) 1.95 9.62 -39.32 4 7 1 84 368.387 6 ↓

Analogs

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Popular Name: 6-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-N4-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine 6-[[4-(2,2-difluoroethyl)piperaz…

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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) 1.80 6.86 -11.27 3 8 0 92 379.415 7 ↓
Mid Mid (pH 6-8) 1.80 9.11 -38.02 4 8 1 94 380.423 7 ↓

Analogs

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Popular Name: 6-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-N4-(o-tolyl)-1,3,5-triazine-2,4-diamine 6-[[4-(2,2-difluoroethyl)piperaz…

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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 8.24 -9.85 3 7 0 83 363.416 6 ↓
Mid Mid (pH 6-8) 2.19 10.5 -37.68 4 7 1 84 364.424 6 ↓

Analogs

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Popular Name: 6-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-N4-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine 6-[[4-(2,2-difluoroethyl)piperaz…

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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) 2.66 9.02 -9.65 3 7 0 83 377.443 7 ↓
Mid Mid (pH 6-8) 2.66 11.28 -37.38 4 7 1 84 378.451 7 ↓

Analogs

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Popular Name: 6-[(1S)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-N4-phenyl-1,3,5-triazine-2,4-diamine 6-[(1S)-1-[4-(2-methoxyethyl)pip…

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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) 1.76 8.49 -36.55 4 8 1 94 358.47 7 ↓
Mid Mid (pH 6-8) 1.76 8.36 -33.5 4 8 1 94 358.47 7 ↓
Mid Mid (pH 6-8) 1.76 6.16 -8.36 3 8 0 92 357.462 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-N4-phenyl-1,3,5-triazine-2,4-diamine 6-[(1R)-1-[4-(2-methoxyethyl)pip…

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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) 1.76 8.49 -36.86 4 8 1 94 358.47 7 ↓
Mid Mid (pH 6-8) 1.76 8.35 -33.33 4 8 1 94 358.47 7 ↓
Mid Mid (pH 6-8) 1.76 6.14 -8.28 3 8 0 92 357.462 7 ↓

Parameters Provided:

ring.id = 173714
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 = 173714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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