UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1872015
1872015
33420303
33420303

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Popular Name: Benoxaprofen Benoxaprofen

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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) 4.53 -0.61 -46.43 0 4 -1 66 300.721 3 ↓

Analogs

2271
2271
33420297
33420297

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Popular Name: Flunoxaprofen Flunoxaprofen

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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) 4.01 0.28 -46.64 0 4 -1 66 284.266 3 ↓

Analogs

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Popular Name: (2-phenyl-1,3-benzoxazol-5-yl)methanamine (2-phenyl-1,3-benzoxazol-5-yl)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) 2.81 3.32 -53.73 3 3 1 54 225.271 2 ↓
Hi High (pH 8-9.5) 2.81 2.91 -8.24 2 3 0 52 224.263 2 ↓

Analogs

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Popular Name: 2-(2-methoxy-5-methyl-phenyl)-1,3-benzoxazol-5-amine 2-(2-methoxy-5-methyl-phenyl)-1,…

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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) 3.13 4 -12.27 2 4 0 61 254.289 2 ↓

Analogs

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Popular Name: 2-(2-methoxy-5-methyl-phenyl)-1,3-benzoxazol-6-amine 2-(2-methoxy-5-methyl-phenyl)-1,…

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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) 3.13 3.66 -12.23 2 4 0 61 254.289 2 ↓

Analogs

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Popular Name: 2-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]ethanamine 2-[2-(4-fluorophenyl)-1,3-benzox…

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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) 2.77 4.16 -53.3 3 3 1 54 257.288 3 ↓

Analogs

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Popular Name: 2-(4-bromo-2-fluoro-phenyl)-1,3-benzoxazol-5-amine 2-(4-bromo-2-fluoro-phenyl)-1,3-…

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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) 3.60 4.09 -11.31 2 3 0 52 307.122 1 ↓

Analogs

37034395
37034395

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Popular Name: 2-(2,5-difluorophenyl)-1,3-benzoxazol-5-amine 2-(2,5-difluorophenyl)-1,3-benzo…

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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) 2.96 3.52 -12.09 2 3 0 52 246.216 1 ↓

Analogs

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Popular Name: 2-(2-bromo-5-methoxy-phenyl)-1,3-benzoxazol-5-amine 2-(2-bromo-5-methoxy-phenyl)-1,3…

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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) 3.49 3.84 -11.89 2 4 0 61 319.158 2 ↓

Analogs

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Popular Name: 2-(2,3-dimethoxyphenyl)-1,3-benzoxazol-5-amine 2-(2,3-dimethoxyphenyl)-1,3-benz…

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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) 2.52 3.15 -14.36 2 5 0 71 270.288 3 ↓

Analogs

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Popular Name: 2-(3,5-difluorophenyl)-1,3-benzoxazol-5-amine 2-(3,5-difluorophenyl)-1,3-benzo…

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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) 2.96 3.25 -8.55 2 3 0 52 246.216 1 ↓

Analogs

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Popular Name: 3-(5-amino-1,3-benzoxazol-2-yl)benzonitrile 3-(5-amino-1,3-benzoxazol-2-yl)b…

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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) 2.43 3.48 -12.44 2 4 0 76 235.246 1 ↓

Analogs

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

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLCB-1-E 1-acylglycerol-3-phosphate O-acyltransferase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLCB_HUMAN O15120 1-acylglycerol-3-phosphate O-acyltransferase Beta, Human 600 0.36 Binding ≤ 1μM
PLCB_HUMAN O15120 1-acylglycerol-3-phosphate O-acyltransferase Beta, Human 600 0.36 Binding ≤ 10μM

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) 4.93 2.79 -19.94 1 7 0 105 341.758 4 ↓

Analogs

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Popular Name: 2-azido-N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide 2-azido-N-[4-chloro-3-(5-chloro-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLCB-1-E 1-acylglycerol-3-phosphate O-acyltransferase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 170 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLCB_HUMAN O15120 1-acylglycerol-3-phosphate O-acyltransferase Beta, Human 170 0.39 Binding ≤ 1μM
PLCB_HUMAN O15120 1-acylglycerol-3-phosphate O-acyltransferase Beta, Human 170 0.39 Binding ≤ 10μM

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) 5.16 1.98 -19.13 1 7 0 105 362.176 4 ↓

Analogs

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Popular Name: N-(2-(4-fluorophenyl)benzo[d]oxazol-6-yl)methanesulfonamide N-(2-(4-fluorophenyl)benzo[d]oxa…

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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) 3.02 2.16 -35.39 0 5 -1 74 305.31 3 ↓
Mid Mid (pH 6-8) 3.02 2.09 -12.89 1 5 0 72 306.318 3 ↓

Analogs

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Popular Name: N-(2-(3-chlorophenyl)benzo[d]oxazol-6-yl)methanesulfonamide N-(2-(3-chlorophenyl)benzo[d]oxa…

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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) 3.51 2.61 -36.83 0 5 -1 74 321.765 3 ↓
Mid Mid (pH 6-8) 3.51 2.54 -13.04 1 5 0 72 322.773 3 ↓

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) 2.95 -1.24 -16.38 1 7 0 91 368.389 8 ↓

Analogs

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Popular Name: 5-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]amino]-5-oxo-pentanoic 5-[[2-(4-tert-butylphenyl)-1,3-b…

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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) 4.80 7.85 -60.38 1 6 -1 95 379.436 7 ↓

Analogs

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Popular Name: 5-[[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]amino]-5-oxo-pentanoic 5-[[2-(4-methoxyphenyl)-1,3-benz…

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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) 3.15 4.84 -61.5 1 7 -1 104 353.354 7 ↓

Analogs

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Popular Name: 4-(1,3-benzoxazol-2-yl)-2-chloro-5-methoxy-aniline 4-(1,3-benzoxazol-2-yl)-2-chloro…

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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) 3.72 3.58 -11.06 2 4 0 61 274.707 2 ↓

Analogs

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Popular Name: 2-chloro-4-(5-chloro-1,3-benzoxazol-2-yl)-5-methoxy-aniline 2-chloro-4-(5-chloro-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) 4.38 4.1 -8.92 2 4 0 61 309.152 2 ↓

Analogs

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Popular Name: 2-chloro-5-methoxy-4-(6-methyl-1,3-benzoxazol-2-yl)aniline 2-chloro-5-methoxy-4-(6-methyl-1…

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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) 4.15 4.26 -10.73 2 4 0 61 288.734 2 ↓

Analogs

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Popular Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide N-(3-hydroxy-2,2-dimethyl-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) 3.38 -3.68 -13.68 2 6 0 85 354.406 6 ↓

Analogs

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Popular Name: 5-tert-butyl-2-(2,6-dimethoxyphenyl)-1,3-benzoxazole 5-tert-butyl-2-(2,6-dimethoxyphe…

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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) 5.35 7.69 -13.84 0 4 0 45 311.381 4 ↓

Analogs

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Popular Name: 5-tert-butyl-2-(4-ethoxy-3-methoxy-phenyl)-1,3-benzoxazole 5-tert-butyl-2-(4-ethoxy-3-metho…

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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) 5.35 7.78 -9.21 0 4 0 45 325.408 5 ↓

Analogs

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Popular Name: 5-tert-butyl-2-(3-ethoxy-4-methoxy-phenyl)-1,3-benzoxazole 5-tert-butyl-2-(3-ethoxy-4-metho…

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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) 5.35 7.78 -9.19 0 4 0 45 325.408 5 ↓

Analogs

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Popular Name: 5,7-dimethyl-2-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole 5,7-dimethyl-2-(2,3,4-trimethoxy…

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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) 4.28 6.67 -11.84 0 5 0 54 313.353 4 ↓

Analogs

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Popular Name: 5-tert-butyl-2-(2-ethoxy-3-methoxy-phenyl)-1,3-benzoxazole 5-tert-butyl-2-(2-ethoxy-3-metho…

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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) 5.53 8.57 -10.92 0 4 0 45 325.408 5 ↓

Analogs

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Popular Name: 5-tert-butyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-benzoxazole 5-tert-butyl-2-[3-fluoro-4-(trif…

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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) 6.32 8.69 -6.06 0 2 0 26 337.316 3 ↓

Analogs

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Popular Name: 4-bromo-2-(5,7-dimethyl-1,3-benzoxazol-2-yl)-6-methoxy-phenol 4-bromo-2-(5,7-dimethyl-1,3-benz…

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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) 4.75 4.99 -11.29 1 4 0 55 348.196 2 ↓

Analogs

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Popular Name: 5-tert-butyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole 5-tert-butyl-2-(3,4,5-trimethoxy…

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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) 4.96 6.78 -9.4 0 5 0 54 341.407 5 ↓

Analogs

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Popular Name: 3-bromo-2-(5,7-dimethyl-1,3-benzoxazol-2-yl)-6-methoxy-phenol 3-bromo-2-(5,7-dimethyl-1,3-benz…

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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) 4.75 5.01 -13.33 1 4 0 55 348.196 2 ↓
Hi High (pH 8-9.5) 4.75 5.81 -55.42 0 4 -1 58 347.188 2 ↓

Analogs

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Popular Name: 5-tert-butyl-2-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole 5-tert-butyl-2-(2,3,4-trimethoxy…

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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) 5.16 7.6 -10.35 0 5 0 54 341.407 5 ↓

Analogs

36749745
36749745
4741162
4741162

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Popular Name: 1-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]methanamine 1-[4-(5-ethyl-1,3-benzoxazol-2-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) 3.72 4.77 -54.76 3 3 1 54 253.325 3 ↓

Analogs

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Popular Name: 7-Methyl-2-phenyl-benzooxazole 7-Methyl-2-phenyl-benzooxazole

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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 5.95 -9.06 0 2 0 26 209.248 1 ↓

Analogs

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Popular Name: 5-Ethyl-2-phenyl-benzooxazole 5-Ethyl-2-phenyl-benzooxazole

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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) 4.54 6.72 -8.38 0 2 0 26 223.275 2 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-phenyl-1,3-benzoxazole 4,6-dimethyl-2-phenyl-1,3-benzox…

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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) 4.45 6.59 -8.68 0 2 0 26 223.275 1 ↓

Analogs

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Popular Name: 2-(4-Fluoro-phenyl)-7-methyl-benzooxazole 2-(4-Fluoro-phenyl)-7-methyl-ben…

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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) 4.21 6.01 -7.35 0 2 0 26 227.238 1 ↓

Analogs

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Popular Name: 5,7-difluoro-2-phenyl-1,3-benzoxazole 5,7-difluoro-2-phenyl-1,3-benzox…

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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) 3.88 5.41 -5.7 0 2 0 26 231.201 1 ↓

Analogs

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Popular Name: 1-(2-phenyl-1,3-benzoxazol-7-yl)ethanone 1-(2-phenyl-1,3-benzoxazol-7-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) 3.50 6.34 -17.23 0 3 0 43 237.258 2 ↓

Analogs

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Popular Name: 5-Isopropyl-2-phenyl-benzooxazole 5-Isopropyl-2-phenyl-benzooxazole

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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) 5.14 7.19 -7.99 0 2 0 26 237.302 2 ↓

Analogs

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Popular Name: 5,6-Dimethyl-2-m-tolyl-benzooxazole 5,6-Dimethyl-2-m-tolyl-benzooxazole

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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) 4.87 7.16 -8.71 0 2 0 26 237.302 1 ↓

Analogs

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Popular Name: 7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine 7-methyl-2-(3-methylphenyl)-1,3-…

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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) 3.50 4.46 -9.82 2 3 0 52 238.29 1 ↓

Analogs

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Popular Name: 7-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine 7-methyl-2-(4-methylphenyl)-1,3-…

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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) 3.52 4.47 -9.53 2 3 0 52 238.29 1 ↓

Analogs

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Popular Name: 2-(3-Methoxy-phenyl)-7-methyl-benzooxazole 2-(3-Methoxy-phenyl)-7-methyl-be…

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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) 4.08 5.25 -10.66 0 3 0 35 239.274 2 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole 2-(4-methoxyphenyl)-7-methyl-1,3…

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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) 4.11 5.23 -8.87 0 3 0 35 239.274 2 ↓

Analogs

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Popular Name: 2-(3-Fluoro-phenyl)-7-methyl-benzooxazol-5-ylamine 2-(3-Fluoro-phenyl)-7-methyl-ben…

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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) 3.22 3.86 -9.88 2 3 0 52 242.253 1 ↓

Analogs

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Popular Name: 2-(2-Fluoro-phenyl)-7-methyl-benzooxazol-5-ylamine 2-(2-Fluoro-phenyl)-7-methyl-ben…

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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) 3.19 4.15 -12.95 2 3 0 52 242.253 1 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-7-methyl-1,3-benzoxazol-5-amine 2-(4-fluorophenyl)-7-methyl-1,3-…

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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) 3.24 3.85 -8.05 2 3 0 52 242.253 1 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-5-methoxy-1,3-benzoxazole 2-(4-fluorophenyl)-5-methoxy-1,3…

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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) 3.84 4.62 -8.04 0 3 0 35 243.237 2 ↓

Parameters Provided:

ring.id = 60
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 = 60 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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