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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-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-N4,N4-dimethyl-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) 0.44 5.3 -10.26 2 7 0 74 301.345 5 ↓
Mid Mid (pH 6-8) 0.44 7.43 -36.67 3 7 1 76 302.353 5 ↓

Analogs

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Popular Name: 6-[(1S)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-N4,N4-dimethyl-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) 1.00 5.39 -10.84 2 7 0 74 315.372 5 ↓
Mid Mid (pH 6-8) 1.00 7.72 -34.56 3 7 1 76 316.38 5 ↓
Mid Mid (pH 6-8) 1.00 6.52 -29.37 3 7 1 76 316.38 5 ↓

Analogs

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Popular Name: 6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-N4,N4-dimethyl-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) 1.00 5.48 -9.73 2 7 0 74 315.372 5 ↓
Mid Mid (pH 6-8) 1.00 7.72 -33.17 3 7 1 76 316.38 5 ↓
Mid Mid (pH 6-8) 1.00 6.44 -29.43 3 7 1 76 316.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-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) -0.72 2.21 -8.93 4 7 0 97 273.291 4 ↓
Mid Mid (pH 6-8) -0.72 4.46 -35.55 5 7 1 98 274.299 4 ↓

Analogs

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Popular Name: 6-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[(2S,6R)-2,6-dimethylpiperazi…

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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) -1.23 2.07 -38.52 6 7 1 111 238.319 2 ↓
Hi High (pH 8-9.5) -1.23 0.74 -6.5 5 7 0 106 237.311 2 ↓
Lo Low (pH 4.5-6) -1.23 2.54 -85.35 7 7 2 112 239.327 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[(2S,6S)-2,6-dimethylpiperazi…

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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) -1.23 2.06 -41.95 6 7 1 111 238.319 2 ↓
Hi High (pH 8-9.5) -1.23 0.91 -6.34 5 7 0 106 237.311 2 ↓
Lo Low (pH 4.5-6) -1.23 2.76 -82.82 7 7 2 112 239.327 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[(2R,6R)-2,6-dimethylpiperazi…

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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) -1.23 2.05 -41.98 6 7 1 111 238.319 2 ↓
Hi High (pH 8-9.5) -1.23 0.71 -6.36 5 7 0 106 237.311 2 ↓
Lo Low (pH 4.5-6) -1.23 2.55 -85.59 7 7 2 112 239.327 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine 6-[[(2S,6R)-2,6-dimethylpiperazi…

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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) -0.07 5.03 -38.83 4 7 1 88 266.373 3 ↓
Hi High (pH 8-9.5) -0.07 3.83 -7.09 3 7 0 83 265.365 3 ↓
Lo Low (pH 4.5-6) -0.07 5.63 -84 5 7 2 89 267.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine 6-[[(2S,6S)-2,6-dimethylpiperazi…

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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) -0.07 5.04 -42.31 4 7 1 88 266.373 3 ↓
Hi High (pH 8-9.5) -0.07 4 -6.93 3 7 0 83 265.365 3 ↓
Lo Low (pH 4.5-6) -0.07 5.73 -80.6 5 7 2 89 267.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine 6-[[(2R,6R)-2,6-dimethylpiperazi…

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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) -0.07 5.02 -42.55 4 7 1 88 266.373 3 ↓
Hi High (pH 8-9.5) -0.07 3.81 -6.93 3 7 0 83 265.365 3 ↓
Lo Low (pH 4.5-6) -0.07 5.52 -83.53 5 7 2 89 267.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide 4-[[4-amino-6-(dimethylamino)-1,…

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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) -0.63 5.73 -15.22 2 9 0 95 308.39 3 ↓
Mid Mid (pH 6-8) -0.63 8.17 -45.31 3 9 1 96 309.398 3 ↓
Lo Low (pH 4.5-6) -0.63 5.95 -34.78 3 9 1 96 309.398 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[4-[3-(2,2,2-trifluoroethoxy)…

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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) -0.11 5.33 -44.59 5 8 1 108 350.369 8 ↓
Mid Mid (pH 6-8) -0.11 5.32 -38.62 5 8 1 108 350.369 8 ↓
Mid Mid (pH 6-8) -0.11 3.07 -10.16 4 8 0 106 349.361 8 ↓

Analogs

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Popular Name: methyl 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) -1.44 2.33 -11.07 4 9 0 124 267.293 3 ↓
Mid Mid (pH 6-8) -1.44 4.53 -43.95 5 9 1 125 268.301 3 ↓

Parameters Provided:

ring.id = 173705
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 = 173705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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