UCSF
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Analogs

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Popular Name: 1-[2-fluoro-4-(3H-triazolo[4,5-b]pyridin-7-yloxy)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea 1-[2-fluoro-4-(3H-triazolo[4,5-b…

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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) 4.36 6.26 -47.39 2 8 -1 103 449.319 5 ↓
Lo Low (pH 4.5-6) 4.36 6.35 -13.38 3 8 0 105 450.327 5 ↓

Analogs

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Popular Name: 6-(2-fluoro-6-isopropoxy-phenyl)-1H-triazolo[4,5-b]pyridine 6-(2-fluoro-6-isopropoxy-phenyl)…

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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) 3.19 5.64 -47.3 0 5 -1 62 271.275 3 ↓
Mid Mid (pH 6-8) 3.19 5.5 -7.95 1 5 0 64 272.283 3 ↓

Analogs

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Popular Name: 6-(4-methyl-2-pyrazol-1-yl-phenyl)-1H-triazolo[4,5-b]pyridine 6-(4-methyl-2-pyrazol-1-yl-pheny…

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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) 2.85 6.83 -48.38 0 6 -1 71 275.295 2 ↓
Mid Mid (pH 6-8) 2.85 6.7 -9.15 1 6 0 72 276.303 2 ↓

Parameters Provided:

ring.id = 188653
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 = 188653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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