UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35501676
35501676

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Popular Name: 6-[(S)-3-furyl(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(S)-3-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) 1.25 3.22 -50.55 3 5 1 68 259.285 3 ↓
Hi High (pH 8-9.5) 1.25 2.06 -7.84 2 5 0 63 258.277 3 ↓

Analogs

35501675
35501675

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Popular Name: 6-[(R)-3-furyl(methylamino)methyl]-4H-1,4-benzoxazin-3-one 6-[(R)-3-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) 1.25 3.25 -51.1 3 5 1 68 259.285 3 ↓
Hi High (pH 8-9.5) 1.25 2.13 -7.82 2 5 0 63 258.277 3 ↓

Analogs

35501684
35501684

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

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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) 1.69 4.65 -50.49 3 5 1 68 287.339 3 ↓
Hi High (pH 8-9.5) 1.69 3.63 -8.72 2 5 0 63 286.331 3 ↓

Analogs

35501683
35501683

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

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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) 1.69 4.85 -50.34 3 5 1 68 287.339 3 ↓
Hi High (pH 8-9.5) 1.69 3.65 -8.37 2 5 0 63 286.331 3 ↓

Analogs

35501690
35501690

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Popular Name: 6-[(R)-methylamino-(2-methyl-3-furyl)methyl]-4H-1,4-benzoxazin-3-one 6-[(R)-methylamino-(2-methyl-3-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) 1.47 3.92 -50.44 3 5 1 68 273.312 3 ↓
Hi High (pH 8-9.5) 1.47 2.92 -8.41 2 5 0 63 272.304 3 ↓

Analogs

35501689
35501689

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

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) 1.47 3.96 -49.85 3 5 1 68 273.312 3 ↓
Hi High (pH 8-9.5) 1.47 2.87 -8.08 2 5 0 63 272.304 3 ↓

Parameters Provided:

ring.id = 18298
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 = 18298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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