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Analogs

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Popular Name: N2-allyl-N4-ethyl-6-methyl-1H-triazine-2,4-diamine N2-allyl-N4-ethyl-6-methyl-1H-tr…

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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) 1.17 3 -8.26 3 5 0 58 195.27 5 ↓

Analogs

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Popular Name: N2-allyl-1H-triazine-2,6-diamine N2-allyl-1H-triazine-2,6-diamine

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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) 0.20 0.36 -6.35 4 5 0 72 153.189 3 ↓

Analogs

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Popular Name: N2,N2-diallyl-6-butyl-1H-triazine-2,4-diamine N2,N2-diallyl-6-butyl-1H-triazin…

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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) 2.94 5.68 -5.53 3 5 0 63 249.362 8 ↓

Analogs

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Popular Name: N2,N2-diallyl-6-methyl-1H-triazine-2,4-diamine N2,N2-diallyl-6-methyl-1H-triazi…

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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) 1.31 3.39 -6.24 3 5 0 63 207.281 5 ↓

Analogs

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Popular Name: N2,N2-diallyl-6-isopropyl-1H-triazine-2,4-diamine N2,N2-diallyl-6-isopropyl-1H-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) 2.36 4.73 -5.32 3 5 0 63 235.335 6 ↓

Analogs

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Popular Name: [(4,6-dichloro-1H-triazin-2-yl)-ethyl-amino] [(4,6-dichloro-1H-triazin-2-yl)-…

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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) 3.20 6.07 -7.94 1 6 0 63 279.127 5 ↓

Analogs

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Popular Name: 6-benzyloxy-2-fluoro-1H-triazine 6-benzyloxy-2-fluoro-1H-triazine

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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) 2.03 3.91 -7.67 1 4 0 43 207.208 3 ↓

Analogs

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Popular Name: (2,6-difluoro-1H-triazin-4-yl)hydrazine (2,6-difluoro-1H-triazin-4-yl)hy…

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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) -0.10 -0.46 -14.12 4 5 0 75 149.104 1 ↓
Hi High (pH 8-9.5) -0.10 -0.27 -32.38 3 5 -1 74 148.096 1 ↓
Mid Mid (pH 6-8) -0.10 -0.14 -7.63 4 5 0 72 149.104 1 ↓

Analogs

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Popular Name: 2,4-difluoro-6-methyl-1H-triazine 2,4-difluoro-6-methyl-1H-triazine

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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) 0.76 1.76 -7.65 1 3 0 34 133.101 0 ↓

Analogs

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Popular Name: 2,6-difluoro-4-phenyl-1H-triazine 2,6-difluoro-4-phenyl-1H-triazine

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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) 2.21 4.77 -6.04 1 3 0 34 195.172 1 ↓

Analogs

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Popular Name: 2-fluoro-1H-triazin-6-amine 2-fluoro-1H-triazin-6-amine

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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) -0.14 -0.05 -8.58 3 4 0 60 116.099 0 ↓

Analogs

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Popular Name: 2-fluoro-N,N-dimethyl-1H-triazin-6-amine 2-fluoro-N,N-dimethyl-1H-triazin…

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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) 0.48 2.64 -8.28 1 4 0 37 144.153 1 ↓

Analogs

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Popular Name: 2-fluoro-6-phenyl-1H-triazine 2-fluoro-6-phenyl-1H-triazine

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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) 1.92 4.69 -8.53 1 3 0 34 177.182 1 ↓

Analogs

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Popular Name: N-benzyl-2-fluoro-1H-triazin-6-amine N-benzyl-2-fluoro-1H-triazin-6-a…

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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) 1.63 4.81 -7.7 2 4 0 46 206.224 3 ↓

Analogs

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Popular Name: (2-fluoro-1H-triazin-6-yl)hydrazine (2-fluoro-1H-triazin-6-yl)hydrazine

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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) -0.38 -0.24 -8.73 4 5 0 72 131.114 1 ↓

Analogs

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Popular Name: 2-fluoro-N-phenyl-1H-triazin-6-amine 2-fluoro-N-phenyl-1H-triazin-6-a…

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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) 2.37 4.74 -8.13 2 4 0 46 192.197 2 ↓

Analogs

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Popular Name: 2-fluoro-N-methyl-1H-triazin-6-amine 2-fluoro-N-methyl-1H-triazin-6-a…

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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) 0.23 1 -8.21 2 4 0 46 130.126 1 ↓

Analogs

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Popular Name: 2-fluoro-6-methoxy-1H-triazine 2-fluoro-6-methoxy-1H-triazine

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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) 0.43 -0.08 -7.18 1 4 0 43 131.11 1 ↓

Analogs

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Popular Name: 2-fluoro-6-phenoxy-1H-triazine 2-fluoro-6-phenoxy-1H-triazine

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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) 2.13 3.3 -7.46 1 4 0 43 193.181 2 ↓

Analogs

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Popular Name: 4-benzyloxy-2,6-difluoro-1H-triazine 4-benzyloxy-2,6-difluoro-1H-tria…

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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) 2.31 3.34 -4.82 1 4 0 43 225.198 3 ↓

Analogs

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Popular Name: 2-fluoro-6-methyl-1H-triazine 2-fluoro-6-methyl-1H-triazine

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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) 0.47 1.82 -8.32 1 3 0 34 115.111 0 ↓

Analogs

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Popular Name: N,N-diethyl-2-fluoro-1H-triazin-6-amine N,N-diethyl-2-fluoro-1H-triazin-…

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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 4.54 -7.69 1 4 0 37 172.207 3 ↓

Analogs

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Popular Name: N-butyl-2-fluoro-1H-triazin-6-amine N-butyl-2-fluoro-1H-triazin-6-amine

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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) 1.67 3.35 -7.41 2 4 0 46 172.207 4 ↓

Parameters Provided:

ring.id = 195827
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 = 195827 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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