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

Analogs

35500583
35500583

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Popular Name: 6-[(S)-3-furyl(methylamino)methyl]-3H-1,3-benzoxazol-2-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) 1.89 0.88 -75.82 2 5 0 79 244.25 3 ↓
Hi High (pH 8-9.5) 1.44 2.35 -9.58 2 5 0 71 244.25 3 ↓
Hi High (pH 8-9.5) 1.89 -0.28 -47.45 1 5 -1 74 243.242 3 ↓

Analogs

35500582
35500582

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Popular Name: 6-[(R)-3-furyl(methylamino)methyl]-3H-1,3-benzoxazol-2-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) 1.89 0.92 -76.08 2 5 0 79 244.25 3 ↓
Hi High (pH 8-9.5) 1.89 -0.22 -48.96 1 5 -1 74 243.242 3 ↓
Hi High (pH 8-9.5) 1.44 2.4 -9.37 2 5 0 71 244.25 3 ↓

Analogs

35500593
35500593

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Popular Name: 6-[(R)-(2,5-dimethyl-3-furyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-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) 2.34 2.3 -74.41 2 5 0 79 272.304 3 ↓
Hi High (pH 8-9.5) 1.88 3.9 -9.73 2 5 0 71 272.304 3 ↓
Hi High (pH 8-9.5) 2.34 1.27 -47.28 1 5 -1 74 271.296 3 ↓

Analogs

35500592
35500592

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2,5-dimethyl-3-furyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-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) 2.34 2.5 -74.67 2 5 0 79 272.304 3 ↓
Hi High (pH 8-9.5) 1.88 3.93 -9.29 2 5 0 71 272.304 3 ↓
Hi High (pH 8-9.5) 2.34 1.31 -48.75 1 5 -1 74 271.296 3 ↓

Analogs

35500599
35500599

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Popular Name: 6-[(R)-methylamino-(2-methyl-3-furyl)methyl]-3H-1,3-benzoxazol-2-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) 2.11 1.57 -74.74 2 5 0 79 258.277 3 ↓
Hi High (pH 8-9.5) 1.66 3.18 -9.44 2 5 0 71 258.277 3 ↓
Hi High (pH 8-9.5) 2.11 0.56 -47.1 1 5 -1 74 257.269 3 ↓

Analogs

35500598
35500598

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-methylamino-(2-methyl-3-furyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-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) 2.11 1.61 -74.5 2 5 0 79 258.277 3 ↓
Hi High (pH 8-9.5) 1.66 3.13 -9.03 2 5 0 71 258.277 3 ↓
Hi High (pH 8-9.5) 2.11 0.51 -48.59 1 5 -1 74 257.269 3 ↓

Parameters Provided:

ring.id = 18172
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 = 18172 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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