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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-[(3-bromo-4-hydroxy-phenyl)methylamino]-3H-1,3-benzoxazol-2-one 5-[(3-bromo-4-hydroxy-phenyl)met…

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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) 2.93 2.4 -11.87 3 5 0 78 335.157 3 ↓
Hi High (pH 8-9.5) 2.93 3.17 -42.59 2 5 -1 81 334.149 3 ↓

Analogs

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Popular Name: 5-[(3-bromo-2-hydroxy-phenyl)methylamino]-3H-1,3-benzoxazol-2-one 5-[(3-bromo-2-hydroxy-phenyl)met…

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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) 2.90 2.45 -11.37 3 5 0 78 335.157 3 ↓
Hi High (pH 8-9.5) 2.90 3.2 -36.56 2 5 -1 81 334.149 3 ↓

Analogs

31255451
31255451
31255457
31255457

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Popular Name: 5-[[(1S)-1-(2,4-dibromophenyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1S)-1-(2,4-dibromophenyl)et…

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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) 4.51 6.48 -9.62 2 4 0 58 412.081 3 ↓

Analogs

31255451
31255451
31255457
31255457

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Popular Name: 5-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1R)-1-(2,4-dibromophenyl)et…

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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) 4.51 6.44 -9.6 2 4 0 58 412.081 3 ↓

Analogs

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Popular Name: 5-[(3-bromo-4-methoxy-phenyl)methylamino]-3H-1,3-benzoxazol-2-one 5-[(3-bromo-4-methoxy-phenyl)met…

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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) 3.20 4.55 -12.01 2 5 0 67 349.184 4 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(4-iodophenyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1S)-1-(4-iodophenyl)ethyl]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) 4.05 6.43 -9.94 2 4 0 58 380.185 3 ↓

Analogs

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Popular Name: 5-[[(1R)-1-(4-iodophenyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1R)-1-(4-iodophenyl)ethyl]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) 4.05 6.43 -9.92 2 4 0 58 380.185 3 ↓

Analogs

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Popular Name: 5-[[(1R)-1-(m-tolyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1R)-1-(m-tolyl)ethyl]amino]…

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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) 3.39 5.99 -9.07 2 4 0 58 268.316 3 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(m-tolyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1S)-1-(m-tolyl)ethyl]amino]…

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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) 3.39 5.99 -9.03 2 4 0 58 268.316 3 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(3-bromophenyl)propyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1S)-1-(3-bromophenyl)propyl…

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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) 4.26 6.29 -9.86 2 4 0 58 347.212 4 ↓

Analogs

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Popular Name: 5-[[(1R)-1-(3-bromophenyl)propyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1R)-1-(3-bromophenyl)propyl…

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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) 4.26 6.93 -9.79 2 4 0 58 347.212 4 ↓

Analogs

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Popular Name: 5-[(2,4,5-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one 5-[(2,4,5-trimethylphenyl)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) 3.61 6.32 -8.92 2 4 0 58 282.343 3 ↓

Analogs

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Popular Name: 5-[(2,3,6-trichlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one 5-[(2,3,6-trichlorophenyl)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) 4.30 5.86 -9.14 2 4 0 58 343.597 3 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(2-chloro-4-fluoro-phenyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1S)-1-(2-chloro-4-fluoro-ph…

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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) 3.74 5.86 -10.2 2 4 0 58 306.724 3 ↓

Analogs

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Popular Name: 5-[[(1R)-1-(2-chloro-4-fluoro-phenyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1R)-1-(2-chloro-4-fluoro-ph…

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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) 3.74 5.84 -10.23 2 4 0 58 306.724 3 ↓

Analogs

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Popular Name: 5-[(3,4-dimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one 5-[(3,4-dimethylphenyl)methylami…

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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) 3.23 5.81 -8.9 2 4 0 58 268.316 3 ↓

Analogs

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Popular Name: 5-[(4-methoxy-3-methyl-phenyl)methylamino]-3H-1,3-benzoxazol-2-one 5-[(4-methoxy-3-methyl-phenyl)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) 2.84 4.63 -10.62 2 5 0 67 284.315 4 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(3-bromo-4-fluoro-phenyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1S)-1-(3-bromo-4-fluoro-phe…

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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) 3.87 5.98 -11.96 2 4 0 58 351.175 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(3-bromo-4-fluoro-phenyl)ethyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1R)-1-(3-bromo-4-fluoro-phe…

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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) 3.87 5.98 -11.96 2 4 0 58 351.175 3 ↓

Analogs

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Popular Name: 5-[[(1S)-2-methyl-1-phenyl-propyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1S)-2-methyl-1-phenyl-propy…

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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 6.88 -9.03 2 4 0 58 282.343 4 ↓

Analogs

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Popular Name: 5-[[(1R)-2-methyl-1-phenyl-propyl]amino]-3H-1,3-benzoxazol-2-one 5-[[(1R)-2-methyl-1-phenyl-propy…

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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 6.83 -8.88 2 4 0 58 282.343 4 ↓

Analogs

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Popular Name: 3-[(1S)-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzonitrile 3-[(1S)-1-[(2-oxo-3H-1,3-benzoxa…

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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 5.71 -13.84 2 5 0 82 279.299 3 ↓

Analogs

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Popular Name: 3-[(1R)-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzonitrile 3-[(1R)-1-[(2-oxo-3H-1,3-benzoxa…

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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 5.71 -13.83 2 5 0 82 279.299 3 ↓

Analogs

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Popular Name: 4-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]benzamide 4-[[(2-oxo-3H-1,3-benzoxazol-5-y…

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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) 1.23 1.37 -16.65 4 6 0 101 283.287 4 ↓

Parameters Provided:

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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 = 179223 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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