UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-chloro-3-[1-(2-methylpropanoyl)-4-piperidyl]-1,3-benzoxazol-2-one 5-chloro-3-[1-(2-methylpropanoyl…

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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 1.22 -14.59 0 5 0 55 322.792 2 ↓

Analogs

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Popular Name: 3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one 3-(4-Piperidinyl)-1,3-benzoxazol…

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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) 1.07 5.41 -47.06 2 4 1 52 219.264 1 ↓

Analogs

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Popular Name: tert-Butyl 4-(2-oxobenzo[d]oxazol-3(2H)-yl)piperidine-1-carboxylate tert-Butyl 4-(2-oxobenzo[d]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) 2.70 8.5 -16.21 0 6 0 65 318.373 3 ↓

Analogs

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Popular Name: 6-METHYL-3-(PIPERIDIN-4-YL)BENZO[D] OXAZOL-2(3H)-ONE HCL 6-METHYL-3-(PIPERIDIN-4-YL)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) 1.49 6.09 -46.96 2 4 1 52 233.291 1 ↓

Analogs

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Popular Name: 5-chloro-3-(4-piperidyl)-1,3-benzoxazol-2-one 5-chloro-3-(4-piperidyl)-1,3-ben…

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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) 1.72 5.93 -45.13 2 4 1 52 253.709 1 ↓

Parameters Provided:

ring.id = 93464
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 = 93464 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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