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Analogs

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Popular Name: 5-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]aniline 5-chloro-2-[(4-methyl-1,2,5-oxad…

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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) 2.97 4.39 -9.5 2 4 0 65 255.73 3 ↓

Analogs

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Popular Name: 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]aniline 4-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) 1.96 3.8 -9.71 2 4 0 65 221.285 3 ↓

Analogs

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Popular Name: 5-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]aniline 5-methyl-2-[(4-methyl-1,2,5-oxad…

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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) 2.75 4.54 -9.21 2 4 0 65 235.312 3 ↓

Analogs

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Popular Name: 3-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]aniline 3-methyl-4-[(4-methyl-1,2,5-oxad…

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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) 2.34 4.36 -9.58 2 4 0 65 235.312 3 ↓

Analogs

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Popular Name: 3-fluoro-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]aniline 3-fluoro-4-[(4-methyl-1,2,5-oxad…

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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) 2.05 3.83 -12.26 2 4 0 65 239.275 3 ↓

Analogs

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Popular Name: 5-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]aniline 5-fluoro-2-[(4-methyl-1,2,5-oxad…

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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) 2.46 3.94 -10.04 2 4 0 65 239.275 3 ↓

Analogs

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Popular Name: 3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]aniline 3-chloro-2-[(4-methyl-1,2,5-oxad…

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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) 2.95 4.44 -7.92 2 4 0 65 255.73 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]aniline 3-chloro-4-[(4-methyl-1,2,5-oxad…

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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) 2.57 4.25 -11.2 2 4 0 65 255.73 3 ↓

Analogs

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Popular Name: 5-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]aniline 5-bromo-2-[(4-methyl-1,2,5-oxadi…

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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) 3.10 4.49 -9.44 2 4 0 65 300.181 3 ↓

Analogs

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Popular Name: 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenol 4-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) 2.41 3.06 -10.93 1 4 0 59 222.269 3 ↓

Analogs

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Popular Name: 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenol 2-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) 2.62 3.09 -10.81 1 4 0 59 222.269 3 ↓

Parameters Provided:

ring.id = 460393
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 = 460393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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