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Popular Name: N-[(3-aminophenyl)methyl]-2-(1,2-benzoxazol-3-yl)acetamide N-[(3-aminophenyl)methyl]-2-(1,2…

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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) 1.70 4.5 -16.33 3 5 0 81 281.315 4 ↓

Analogs

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Popular Name: 3-[[2-(1,2-benzoxazol-3-yl)acetyl]-benzyl-amino]propanamide 3-[[2-(1,2-benzoxazol-3-yl)acety…

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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) 1.90 6.45 -22.1 2 6 0 89 337.379 7 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(4-bromophenyl)propyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[(1S)-…

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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) 3.62 8.71 -16.05 1 4 0 55 373.25 5 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-bromophenyl)propyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[(1R)-…

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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) 3.62 8.71 -15.5 1 4 0 55 373.25 5 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[[3-(dimethylamino)phenyl]methyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[[3-(d…

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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) 2.73 7.05 -16.43 1 5 0 58 309.369 5 ↓
Lo Low (pH 4.5-6) 2.73 7.8 -99.21 2 5 0 60 310.377 5 ↓

Analogs

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Popular Name: methyl 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) 2.39 9.29 -20.72 1 6 0 81 372.808 7 ↓

Analogs

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Popular Name: methyl 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) 2.39 8.88 -15.29 1 6 0 81 372.808 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 2.50 10.39 -19.69 1 6 0 81 366.417 8 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 2.50 10.38 -22 1 6 0 81 366.417 8 ↓

Analogs

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Popular Name: N-[4-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]phenyl]-2-methyl-propanamide N-[4-[[[2-(1,2-benzoxazol-3-yl)a…

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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) 2.95 7 -20.38 2 6 0 84 351.406 6 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[(4-ureidophenyl)methyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[(4-ur…

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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 2.71 -22.97 4 7 0 110 324.34 5 ↓

Analogs

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Popular Name: methyl 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) 2.72 10.19 -19.36 0 6 0 73 352.39 8 ↓

Analogs

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Popular Name: methyl 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) 2.82 7.28 -19.34 1 6 0 81 324.336 6 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[(4-su…

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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) 1.35 1.6 -24.29 3 7 0 115 345.38 5 ↓

Analogs

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Popular Name: N-allyl-2-(1,2-benzoxazol-3-yl)-N-[(3-nitrophenyl)methyl]acetamide N-allyl-2-(1,2-benzoxazol-3-yl)-…

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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) 3.48 10.97 -26.63 0 7 0 92 351.362 7 ↓

Analogs

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Popular Name: methyl 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) 2.70 7.68 -17.75 1 6 0 81 324.336 6 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-3,5-dimethyl-phenyl)methyl]-N-methyl-acetamide 2-(1,2-benzoxazol-3-yl)-N-[(4-me…

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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) 3.71 9.45 -19.39 0 5 0 56 338.407 5 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-prop-2-ynoxyphenyl)ethyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[(1S)-…

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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) 3.40 8.23 -20.83 1 5 0 64 334.375 6 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[(1R)-…

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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) 3.40 8.23 -19.95 1 5 0 64 334.375 6 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(3-ethoxyphenyl)ethyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[(1R)-…

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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) 3.62 7.68 -17.99 1 5 0 64 324.38 6 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[(1S)-…

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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) 3.62 7.68 -18.88 1 5 0 64 324.38 6 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[[3-(2…

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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) 3.25 7.18 -20.72 1 5 0 64 346.333 7 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 16060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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