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Analogs

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Popular Name: N-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)propane-1,3-diamine N-cyclopropyl-N-(4,6-dimethoxy-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) 1.27 0.57 -48.8 3 7 1 88 254.314 7 ↓

Analogs

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Popular Name: 3-[cyclopropyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanenitrile 3-[cyclopropyl-(4,6-dimethoxy-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) 1.65 2.92 -10.19 0 7 0 84 249.274 6 ↓

Analogs

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Popular Name: 3-[cyclopropyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanethioamide 3-[cyclopropyl-(4,6-dimethoxy-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) 1.38 1.53 -11.97 2 7 0 86 283.357 7 ↓

Analogs

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Popular Name: 3-[cyclopropyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N'-hydroxy-propanamidine 3-[cyclopropyl-(4,6-dimethoxy-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) 1.48 -0.56 -9.99 3 9 0 119 282.304 7 ↓

Analogs

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Popular Name: 3-[cyclopropyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanamidine 3-[cyclopropyl-(4,6-dimethoxy-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) 1.55 0.1 -39.06 4 8 1 112 267.313 7 ↓

Analogs

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

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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) 2.40 1.21 -6.5 1 6 0 69 224.264 4 ↓

Analogs

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

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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) 2.40 1.21 -6.54 1 6 0 69 224.264 4 ↓

Analogs

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Popular Name: 4,6-dimethoxy-N-[(1S,2R)-2-methylcyclopropyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(1S,2R)-2-methy…

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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) 2.44 0.7 -6.64 1 6 0 69 210.237 4 ↓

Analogs

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

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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) 2.44 0.56 -6.72 1 6 0 69 210.237 4 ↓

Analogs

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

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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) 2.44 0.56 -6.7 1 6 0 69 210.237 4 ↓

Analogs

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Popular Name: 4,6-dimethoxy-N-[(1R,2S)-2-methylcyclopropyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(1R,2S)-2-methy…

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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) 2.44 0.7 -6.66 1 6 0 69 210.237 4 ↓

Analogs

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Popular Name: (1R,2S)-N1-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclopropane-1,2-diamine (1R,2S)-N1-(4,6-dimethoxy-1,3,5-…

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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) 0.97 -2.56 -48.06 4 7 1 97 212.233 4 ↓
Hi High (pH 8-9.5) 0.97 -2.9 -6.68 3 7 0 95 211.225 4 ↓

Analogs

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Popular Name: (1S,2S)-N1-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclopropane-1,2-diamine (1S,2S)-N1-(4,6-dimethoxy-1,3,5-…

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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) 0.97 -2.79 -48.15 4 7 1 97 212.233 4 ↓
Hi High (pH 8-9.5) 0.97 -3.09 -7.15 3 7 0 95 211.225 4 ↓

Analogs

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Popular Name: (1R,2R)-N1-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclopropane-1,2-diamine (1R,2R)-N1-(4,6-dimethoxy-1,3,5-…

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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) 0.97 -2.79 -48.14 4 7 1 97 212.233 4 ↓
Hi High (pH 8-9.5) 0.97 -3.1 -7.93 3 7 0 95 211.225 4 ↓

Analogs

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Popular Name: (1S,2R)-N1-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclopropane-1,2-diamine (1S,2R)-N1-(4,6-dimethoxy-1,3,5-…

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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) 0.97 -2.56 -48.05 4 7 1 97 212.233 4 ↓
Hi High (pH 8-9.5) 0.97 -2.85 -7.66 3 7 0 95 211.225 4 ↓

Analogs

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Popular Name: 2-[cyclopropyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethanol 2-[cyclopropyl-(4,6-dimethoxy-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) 1.56 -0.4 -8.29 1 7 0 81 240.263 6 ↓

Analogs

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Popular Name: ethyl 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) 2.43 3.65 -11.5 0 8 0 87 282.3 8 ↓

Parameters Provided:

ring.id = 217028
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 = 217028 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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