UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2-chloro-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)carbamothioyl]acetamide N-[(2-chloro-5-oxazolo[4,5-b]pyr…

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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) 2.13 5.09 -29.87 2 6 0 80 346.799 4 ↓

Analogs

4122478
4122478

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Popular Name: N-[(2-methyl-4-oxazolo[4,5-b]pyridin-2-yl-phenyl)carbamothioyl]propanamide N-[(2-methyl-4-oxazolo[4,5-b]pyr…

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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) 2.74 6.15 -27.39 2 6 0 80 340.408 5 ↓

Analogs

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Popular Name: Pentanoic acid (4-chloro-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)-amide Pentanoic acid (4-chloro-3-oxazo…

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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) 4.48 6.28 -22.09 1 5 0 68 329.787 5 ↓
Lo Low (pH 4.5-6) 4.48 6.55 -38.79 2 5 1 69 330.795 5 ↓

Analogs

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Popular Name: N-(4-chloro-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)-3-methyl-butanamide N-(4-chloro-3-oxazolo[4,5-b]pyri…

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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) 4.19 6.1 -21.46 1 5 0 68 329.787 4 ↓
Lo Low (pH 4.5-6) 4.19 6.36 -38.23 2 5 1 69 330.795 4 ↓

Analogs

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Popular Name: N-[2-methyl-5-(7-oxa-2,9-diazabicyclo[4.3.0]nona-1,3,5,8-tetraen-8-yl)phenyl]pentanamide N-[2-methyl-5-(7-oxa-2,9-diazabi…

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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) 4.25 6.6 -22.42 1 5 0 68 309.369 5 ↓

Analogs

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Popular Name: 2,4-dibromo-6-chloro-3-[1,3]oxazolo[4,5-b]pyridin-2-ylaniline 2,4-dibromo-6-chloro-3-[1,3]oxaz…

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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) 4.31 -3.59 -10.08 2 4 0 64 403.461 1 ↓

Analogs

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Popular Name: 4-amino-2-methyl-6-[1,3]oxazolo[4,5-b]pyridin-2-ylphenol 4-amino-2-methyl-6-[1,3]oxazolo[…

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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) 1.91 0.81 -14.29 3 5 0 85 241.25 1 ↓

Analogs

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Popular Name: N-[4-hydroxy-3-methyl-5-(7-oxa-2,9-diazabicyclo[4.3.0]nona-1,3,5,8-tetraen-8-yl)phenyl]acetamide N-[4-hydroxy-3-methyl-5-(7-oxa-2…

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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 1.87 -21.25 2 6 0 88 283.287 2 ↓

Analogs

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Popular Name: (2S)-2,6-diamino-N-(2-methoxy-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)hexanamide (2S)-2,6-diamino-N-(2-methoxy-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) 0.63 0.69 -115.42 7 8 2 133 371.441 8 ↓
Hi High (pH 8-9.5) 0.63 0.38 -59.08 6 8 1 131 370.433 8 ↓

Parameters Provided:

ring.id = 242750
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 = 242750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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