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

Analogs

35501670
35501670

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Popular Name: 6-[(R)-methylamino-(5-methyl-2-furyl)methyl]-4H-1,4-benzoxazin-3-one 6-[(R)-methylamino-(5-methyl-2-f…

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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) 1.78 4.25 -47.76 3 5 1 68 273.312 3 ↓

Analogs

35501669
35501669

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Popular Name: 6-[(S)-methylamino-(5-methyl-2-furyl)methyl]-4H-1,4-benzoxazin-3-one 6-[(S)-methylamino-(5-methyl-2-f…

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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) 1.78 4.13 -46.98 3 5 1 68 273.312 3 ↓

Analogs

35501674
35501674

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Popular Name: 6-[(S)-2-furyl(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(S)-2-furyl(methylamino)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) 1.56 3.31 -47.35 3 5 1 68 259.285 3 ↓

Analogs

35501673
35501673

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Popular Name: 6-[(R)-2-furyl(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(R)-2-furyl(methylamino)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) 1.56 3.43 -48.09 3 5 1 68 259.285 3 ↓

Analogs

35501682
35501682

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Popular Name: 6-[(R)-methylamino-(3-methyl-2-furyl)methyl]-4H-1,4-benzoxazin-3-one 6-[(R)-methylamino-(3-methyl-2-f…

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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) 1.93 4.04 -47.74 3 5 1 68 273.312 3 ↓

Analogs

35501681
35501681

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Popular Name: 6-[(S)-methylamino-(3-methyl-2-furyl)methyl]-4H-1,4-benzoxazin-3-one 6-[(S)-methylamino-(3-methyl-2-f…

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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) 1.93 3.91 -47.06 3 5 1 68 273.312 3 ↓

Analogs

35501686
35501686

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Popular Name: 6-[(S)-(5-bromo-2-furyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(S)-(5-bromo-2-furyl)-(methyl…

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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) 2.49 4.05 -49.43 3 5 1 68 338.181 3 ↓

Analogs

35501685
35501685

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Popular Name: 6-[(R)-(5-bromo-2-furyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(R)-(5-bromo-2-furyl)-(methyl…

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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) 2.49 4.17 -50.28 3 5 1 68 338.181 3 ↓

Parameters Provided:

ring.id = 18296
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 = 18296 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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