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

Analogs

35500575
35500575

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-methylamino-(5-nitro-2-furyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-methylamino-(5-nitro-2-fu…

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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) 2.29 1.68 -80.28 2 8 0 125 289.247 4 ↓
Hi High (pH 8-9.5) 1.83 3.13 -14.21 2 8 0 117 289.247 4 ↓
Hi High (pH 8-9.5) 2.29 0.5 -49.87 1 8 -1 120 288.239 4 ↓

Analogs

35500574
35500574

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-methylamino-(5-nitro-2-furyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-methylamino-(5-nitro-2-fu…

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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) 2.29 1.8 -81.02 2 8 0 125 289.247 4 ↓
Hi High (pH 8-9.5) 1.83 3.17 -13.4 2 8 0 117 289.247 4 ↓
Hi High (pH 8-9.5) 2.29 0.54 -50.64 1 8 -1 120 288.239 4 ↓

Analogs

35500577
35500577

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-methylamino-(5-methyl-2-furyl)methyl]-3H-1,3-benzoxazol-2-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) 2.42 1.91 -71.32 2 5 0 79 258.277 3 ↓
Hi High (pH 8-9.5) 1.97 3.24 -9.58 2 5 0 71 258.277 3 ↓
Hi High (pH 8-9.5) 2.42 0.61 -47.04 1 5 -1 74 257.269 3 ↓

Analogs

35500576
35500576

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-methylamino-(5-methyl-2-furyl)methyl]-3H-1,3-benzoxazol-2-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) 2.42 1.79 -70.7 2 5 0 79 258.277 3 ↓
Hi High (pH 8-9.5) 1.97 3.26 -8.73 2 5 0 71 258.277 3 ↓
Hi High (pH 8-9.5) 2.42 0.64 -48 1 5 -1 74 257.269 3 ↓

Analogs

35500581
35500581

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-2-furyl(methylamino)methyl]-3H-1,3-benzoxazol-2-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) 2.20 0.97 -71.33 2 5 0 79 244.25 3 ↓
Hi High (pH 8-9.5) 1.75 2.42 -9.43 2 5 0 71 244.25 3 ↓
Hi High (pH 8-9.5) 2.20 -0.21 -46.81 1 5 -1 74 243.242 3 ↓

Analogs

35500580
35500580

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-2-furyl(methylamino)methyl]-3H-1,3-benzoxazol-2-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) 2.20 1.09 -71.93 2 5 0 79 244.25 3 ↓
Hi High (pH 8-9.5) 1.75 2.46 -8.71 2 5 0 71 244.25 3 ↓
Hi High (pH 8-9.5) 2.20 -0.17 -47.83 1 5 -1 74 243.242 3 ↓

Analogs

35500591
35500591

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-methylamino-(3-methyl-2-furyl)methyl]-3H-1,3-benzoxazol-2-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) 2.58 1.7 -71.16 2 5 0 79 258.277 3 ↓
Hi High (pH 8-9.5) 2.12 3.02 -9.5 2 5 0 71 258.277 3 ↓
Hi High (pH 8-9.5) 2.58 0.41 -46.93 1 5 -1 74 257.269 3 ↓

Analogs

35500590
35500590

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-methylamino-(3-methyl-2-furyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-methylamino-(3-methyl-2-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) 2.58 1.56 -70.72 2 5 0 79 258.277 3 ↓
Hi High (pH 8-9.5) 2.12 3.03 -8.76 2 5 0 71 258.277 3 ↓
Hi High (pH 8-9.5) 2.58 0.41 -48.01 1 5 -1 74 257.269 3 ↓

Analogs

35500595
35500595

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(5-bromo-2-furyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-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) 3.14 1.7 -72.13 2 5 0 79 323.146 3 ↓
Hi High (pH 8-9.5) 2.68 3.15 -9.22 2 5 0 71 323.146 3 ↓
Hi High (pH 8-9.5) 3.14 0.52 -46.1 1 5 -1 74 322.138 3 ↓

Analogs

35500594
35500594

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(5-bromo-2-furyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-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) 3.14 1.82 -72.78 2 5 0 79 323.146 3 ↓
Hi High (pH 8-9.5) 2.68 3.19 -8.44 2 5 0 71 323.146 3 ↓
Hi High (pH 8-9.5) 3.14 0.57 -46.89 1 5 -1 74 322.138 3 ↓

Parameters Provided:

ring.id = 18168
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 = 18168 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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