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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35501718
35501718

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Popular Name: 6-[(S)-(5-bromo-3-pyridyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(S)-(5-bromo-3-pyridyl)-(meth…

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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) 2.02 4.04 -55.92 3 5 1 68 349.208 3 ↓
Mid Mid (pH 6-8) 2.02 3.04 -8.18 2 5 0 63 348.2 3 ↓

Analogs

35501717
35501717

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Popular Name: 6-[(R)-(5-bromo-3-pyridyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(R)-(5-bromo-3-pyridyl)-(meth…

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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) 2.02 4.02 -56.42 3 5 1 68 349.208 3 ↓
Mid Mid (pH 6-8) 2.02 3.04 -8.05 2 5 0 63 348.2 3 ↓

Analogs

35501734
35501734

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Popular Name: 6-[(S)-methylamino(3-pyridyl)methyl]-4H-1,4-benzoxazin-3-one 6-[(S)-methylamino(3-pyridyl)met…

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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) 1.06 3.43 -52.75 3 5 1 68 270.312 3 ↓
Hi High (pH 8-9.5) 1.06 2.42 -8.96 2 5 0 63 269.304 3 ↓

Analogs

35501733
35501733

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Popular Name: 6-[(R)-methylamino(3-pyridyl)methyl]-4H-1,4-benzoxazin-3-one 6-[(R)-methylamino(3-pyridyl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.06 3.42 -53.36 3 5 1 68 270.312 3 ↓
Hi High (pH 8-9.5) 1.06 2.44 -8.78 2 5 0 63 269.304 3 ↓

Parameters Provided:

ring.id = 18302
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 = 18302 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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