UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(1-acetyl-4-piperidyl)amino]-3H-1,3-benzoxazol-2-one 5-[(1-acetyl-4-piperidyl)amino]-…

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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) 1.46 3.01 -16.55 2 6 0 78 275.308 2 ↓

Analogs

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Popular Name: 5-[(1-prop-2-ynyl-4-piperidyl)amino]-3H-1,3-benzoxazol-2-one 5-[(1-prop-2-ynyl-4-piperidyl)am…

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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) 2.26 5.23 -49.78 3 5 1 62 272.328 3 ↓
Hi High (pH 8-9.5) 2.71 0.3 -49.77 1 5 -1 64 270.312 3 ↓
Mid Mid (pH 6-8) 2.26 2.94 -9.83 2 5 0 61 271.32 3 ↓

Analogs

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Popular Name: 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]piperidine-1-carboxamide 4-[(2-oxo-3H-1,3-benzoxazol-5-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) 1.37 0.42 -17.11 4 7 0 104 276.296 2 ↓

Parameters Provided:

ring.id = 563542
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 = 563542 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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