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Analogs

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Popular Name: N-cyclopentyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)propane-1,3-diamine N-cyclopentyl-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) 2.30 2.68 -48.23 3 7 1 88 282.368 7 ↓

Analogs

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Popular Name: N-cyclopentyl-4,6-dimethoxy-1,3,5-triazin-2-amine N-cyclopentyl-4,6-dimethoxy-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) 2.87 1.08 -6.72 1 6 0 69 224.264 4 ↓

Analogs

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Popular Name: 4,6-dimethoxy-N-(1-methylcyclopentyl)-1,3,5-triazin-2-amine 4,6-dimethoxy-N-(1-methylcyclope…

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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) 3.31 1.98 -6.6 1 6 0 69 238.291 4 ↓

Analogs

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

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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) 2.33 0.51 -7.1 1 7 0 78 254.29 5 ↓

Analogs

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

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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) 2.33 0.09 -7.84 1 7 0 78 254.29 5 ↓

Analogs

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

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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) 2.33 0.09 -8.1 1 7 0 78 254.29 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.33 0.44 -7.35 1 7 0 78 254.29 5 ↓

Analogs

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Popular Name: [1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol [1-[(4,6-dimethoxy-1,3,5-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) 2.30 -1.53 -7.92 2 7 0 89 254.29 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethanol 2-[cyclopentyl-(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) 2.59 1.22 -7.61 1 7 0 81 268.317 6 ↓

Analogs

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Popular Name: N-cyclopentyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine N-cyclopentyl-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) 2.03 1.92 -49.14 3 7 1 88 268.341 6 ↓
Hi High (pH 8-9.5) 2.03 1.52 -7.98 2 7 0 86 267.333 6 ↓

Parameters Provided:

ring.id = 217030
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 = 217030 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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