UCSF
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Analogs

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Popular Name: 4-bromo-N-[[4-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide 4-bromo-N-[[4-(3-methyl-[1,2,4]t…

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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) 3.57 9.67 -15.36 1 6 0 72 428.315 4 ↓

Analogs

12854461
12854461

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Popular Name: 4-methyl-N-[[4-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide 4-methyl-N-[[4-(3-methyl-[1,2,4]…

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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) 3.21 9.72 -15.78 1 6 0 72 363.446 4 ↓

Analogs

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Popular Name: 4-methoxy-N-[[4-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide 4-methoxy-N-[[4-(3-methyl-[1,2,4…

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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) 2.82 8.36 -16.96 1 7 0 81 379.445 5 ↓

Analogs

32579637
32579637

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Popular Name: 4-tert-butyl-N-[[4-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide 4-tert-butyl-N-[[4-(3-methyl-[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) 4.47 11.37 -15.26 1 6 0 72 405.527 5 ↓

Analogs

12854449
12854449

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Popular Name: N-[4-(3-Methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-benzyl]-benzamide N-[4-(3-Methyl-[1,2,4]triazolo[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) 2.76 9.05 -15.94 1 6 0 72 349.419 4 ↓

Analogs

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Popular Name: 2-methoxy-3-methyl-N-[[4-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzam 2-methoxy-3-methyl-N-[[4-(3-meth…

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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) 3.72 10.27 -17.58 1 7 0 81 393.472 5 ↓

Analogs

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Popular Name: 3-ethoxy-N-[[4-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide 3-ethoxy-N-[[4-(3-methyl-[1,2,4]…

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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) 3.17 9.27 -18.29 1 7 0 81 393.472 6 ↓

Analogs

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Popular Name: N-[[4-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)phenyl]methyl]-3-propoxy-benzamide N-[[4-(3-methyl-[1,2,4]triazolo[…

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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) 3.67 10.07 -18.03 1 7 0 81 407.499 7 ↓

Parameters Provided:

ring.id = 107409
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 = 107409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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