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Analogs

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

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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) 1.26 -2.37 -16.6 1 8 0 103 288.329 4 ↓

Analogs

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

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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) 1.26 -2.37 -16.59 1 8 0 103 288.329 4 ↓

Analogs

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Popular Name: 4-chloro-N-[(3R)-1,1-dioxothian-3-yl]-6-methoxy-1,3,5-triazin-2-amine 4-chloro-N-[(3R)-1,1-dioxothian-…

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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) 1.47 0.4 -14.72 1 7 0 94 292.748 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(3S)-1,1-dioxothian-3-yl]-6-methoxy-1,3,5-triazin-2-amine 4-chloro-N-[(3S)-1,1-dioxothian-…

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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) 1.47 0.4 -14.74 1 7 0 94 292.748 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(3R)-1,1-dioxothian-3-yl]-6-propoxy-1,3,5-triazin-2-amine 4-chloro-N-[(3R)-1,1-dioxothian-…

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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 2.13 -14.1 1 7 0 94 320.802 5 ↓

Analogs

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Popular Name: 4-chloro-N-[(3S)-1,1-dioxothian-3-yl]-6-propoxy-1,3,5-triazin-2-amine 4-chloro-N-[(3S)-1,1-dioxothian-…

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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 2.13 -14.15 1 7 0 94 320.802 5 ↓

Analogs

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Popular Name: 4,6-dichloro-N-[(3S)-1,1-dioxothian-3-yl]-1,3,5-triazin-2-amine 4,6-dichloro-N-[(3S)-1,1-dioxoth…

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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) 1.69 3.6 -14.93 1 6 0 85 297.167 2 ↓

Analogs

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Popular Name: 4,6-dichloro-N-[(3R)-1,1-dioxothian-3-yl]-1,3,5-triazin-2-amine 4,6-dichloro-N-[(3R)-1,1-dioxoth…

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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) 1.69 3.6 -14.96 1 6 0 85 297.167 2 ↓

Analogs

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Popular Name: 6-chloro-N4-[(3R)-1,1-dioxothian-3-yl]-N2,N2-diethyl-1,3,5-triazine-2,4-diamine 6-chloro-N4-[(3R)-1,1-dioxothian…

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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 8.16 -15.17 1 7 0 88 333.845 5 ↓

Analogs

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Popular Name: 6-chloro-N4-[(3S)-1,1-dioxothian-3-yl]-N2,N2-diethyl-1,3,5-triazine-2,4-diamine 6-chloro-N4-[(3S)-1,1-dioxothian…

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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 8.17 -15.11 1 7 0 88 333.845 5 ↓

Analogs

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Popular Name: 6-chloro-N4-[(3R)-1,1-dioxothian-3-yl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine 6-chloro-N4-[(3R)-1,1-dioxothian…

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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 6.16 -15.66 1 7 0 88 305.791 3 ↓

Analogs

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Popular Name: 6-chloro-N4-[(3S)-1,1-dioxothian-3-yl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine 6-chloro-N4-[(3S)-1,1-dioxothian…

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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 6.16 -15.65 1 7 0 88 305.791 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(3R)-1,1-dioxothian-3-yl]-6-isopropoxy-1,3,5-triazin-2-amine 4-chloro-N-[(3R)-1,1-dioxothian-…

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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 2.26 -14.55 1 7 0 94 320.802 4 ↓

Analogs

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Popular Name: 4-chloro-N-[(3S)-1,1-dioxothian-3-yl]-6-isopropoxy-1,3,5-triazin-2-amine 4-chloro-N-[(3S)-1,1-dioxothian-…

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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 2.26 -14.55 1 7 0 94 320.802 4 ↓

Analogs

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Popular Name: 4-chloro-N-[(3R)-1,1-dioxothian-3-yl]-6-ethoxy-1,3,5-triazin-2-amine 4-chloro-N-[(3R)-1,1-dioxothian-…

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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) 1.85 1.33 -14.45 1 7 0 94 306.775 4 ↓

Analogs

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Popular Name: 4-chloro-N-[(3S)-1,1-dioxothian-3-yl]-6-ethoxy-1,3,5-triazin-2-amine 4-chloro-N-[(3S)-1,1-dioxothian-…

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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) 1.85 1.32 -14.43 1 7 0 94 306.775 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 290257 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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