UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16431340
16431340

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Popular Name: 2-(5-Bromo-pyridin-3-yl)-benzooxazole 2-(5-Bromo-pyridin-3-yl)-benzoox…

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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) 3.53 4.1 -6.89 0 3 0 39 275.105 1 ↓

Analogs

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Popular Name: 2-(2-methoxy-3-pyridyl)-1,3-benzoxazol-5-amine 2-(2-methoxy-3-pyridyl)-1,3-benz…

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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) 1.81 0.73 -12.11 2 5 0 74 241.25 2 ↓

Analogs

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Popular Name: 2-(2-methoxy-3-pyridyl)-1,3-benzoxazol-6-amine 2-(2-methoxy-3-pyridyl)-1,3-benz…

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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) 1.81 0.4 -12.73 2 5 0 74 241.25 2 ↓

Analogs

31978822
31978822
34623672
34623672

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Popular Name: 6-Methyl-2-pyridin-3-yl-benzooxazole 6-Methyl-2-pyridin-3-yl-benzooxa…

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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) 3.00 4.18 -8.69 0 3 0 39 210.236 1 ↓
Lo Low (pH 4.5-6) 3.00 4.65 -37.92 1 3 1 40 211.244 1 ↓

Analogs

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Popular Name: 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole 2-(2-chloro-3-pyridinyl)-5-methy…

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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) 3.80 -0.59 -11.15 0 3 0 38 244.681 1 ↓

Analogs

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Popular Name: 5-(6-methyl-1,3-benzoxazol-2-yl)pyridin-3-amine 5-(6-methyl-1,3-benzoxazol-2-yl)…

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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) 2.63 2.04 -9.1 2 4 0 65 225.251 1 ↓
Lo Low (pH 4.5-6) 2.63 2.5 -36.36 3 4 1 66 226.259 1 ↓

Analogs

30714634
30714634
30714638
30714638

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Popular Name: 5-(5-tert-butyl-1,3-benzoxazol-2-yl)pyridin-3-amine 5-(5-tert-butyl-1,3-benzoxazol-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) 3.89 3.71 -8.82 2 4 0 65 267.332 2 ↓
Lo Low (pH 4.5-6) 3.89 4.17 -34.83 3 4 1 66 268.34 2 ↓

Analogs

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Popular Name: 5-(4-methyl-1,3-benzoxazol-2-yl)pyridin-3-amine 5-(4-methyl-1,3-benzoxazol-2-yl)…

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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) 2.61 2.02 -9.89 2 4 0 65 225.251 1 ↓
Lo Low (pH 4.5-6) 2.61 2.48 -35.47 3 4 1 66 226.259 1 ↓

Analogs

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Popular Name: 5-methyl-2-(3-pyridyl)-1,3-benzoxazol-7-amine 5-methyl-2-(3-pyridyl)-1,3-benzo…

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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 2.03 -9.08 2 4 0 65 225.251 1 ↓
Lo Low (pH 4.5-6) 2.41 2.49 -38.73 3 4 1 66 226.259 1 ↓

Parameters Provided:

ring.id = 12002
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 = 12002 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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