UCSF
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Analogs

11990945
11990945

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-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) 1.52 -2.74 -10.3 3 7 0 108 360.317 5 ↓

Analogs

11990944
11990944

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-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) 1.52 -2.73 -10.21 3 7 0 108 360.317 5 ↓

Analogs

11990947
11990947

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Popular Name: (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanamide (2R)-N-[2-chloro-5-(trifluoromet…

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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) 2.18 -2.99 -11.95 3 7 0 108 394.762 5 ↓

Analogs

11990946
11990946

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanamide (2S)-N-[2-chloro-5-(trifluoromet…

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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) 2.18 -2.98 -11.92 3 7 0 108 394.762 5 ↓

Analogs

11990949
11990949

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-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) 0.68 -5.04 -11.71 3 8 0 117 322.346 5 ↓

Analogs

11990948
11990948

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-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) 0.68 -5.03 -11.78 3 8 0 117 322.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide N-(3,4-dimethoxyphenyl)-2-[(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) -0.04 -5.15 -16.41 3 9 0 126 338.345 6 ↓

Parameters Provided:

ring.id = 66220
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 = 66220 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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