UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-bromo-4-[(5-phenylisoxazol-3-yl)methoxy]benzoic 3-bromo-4-[(5-phenylisoxazol-3-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) 4.88 9.18 -48.57 0 5 -1 75 373.182 5 ↓

Analogs

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Popular Name: 2-[(5-phenylisoxazol-3-yl)methoxy]benzoic 2-[(5-phenylisoxazol-3-yl)methox…

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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) 4.18 9.25 -58.45 0 5 -1 75 294.286 5 ↓

Analogs

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Popular Name: 2-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methoxy]benzoic 2-[[5-(4-fluorophenyl)-4-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) 4.72 10 -63.45 0 5 -1 75 326.303 5 ↓

Analogs

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Popular Name: 4-[(5-phenylisoxazol-3-yl)methoxy]benzoic 4-[(5-phenylisoxazol-3-yl)methox…

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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) 4.14 8.52 -51.34 0 5 -1 75 294.286 5 ↓

Analogs

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Popular Name: 4-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methoxy]benzoic 4-[[5-(4-fluorophenyl)-4-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) 4.68 9.24 -52.08 0 5 -1 75 326.303 5 ↓

Analogs

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Popular Name: 3-methoxy-4-[(5-phenylisoxazol-3-yl)methoxy]benzoic 3-methoxy-4-[(5-phenylisoxazol-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) 3.73 8.41 -51.09 0 6 -1 85 324.312 6 ↓

Analogs

12995447
12995447

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Popular Name: 4-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methoxy]-3-methoxy-benzoic 4-[[5-(4-fluorophenyl)-4-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) 4.27 9.14 -52.63 0 6 -1 85 356.329 6 ↓

Analogs

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Popular Name: 4-[(5-phenylisoxazol-3-yl)methoxy]benzene-1,3-dicarboxylic 4-[(5-phenylisoxazol-3-yl)methox…

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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) 4.06 8.88 -117.51 0 7 -2 116 337.287 6 ↓

Analogs

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Popular Name: 4-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methoxy]benzene-1,3-dicarboxylic 4-[[5-(4-fluorophenyl)-4-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) 4.60 9.63 -121.14 0 7 -2 116 369.304 6 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[(5-phenylisoxazol-3-yl)methoxy]benzoic 3,5-dichloro-4-[(5-phenylisoxazo…

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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 9.76 -43.2 0 5 -1 75 363.176 5 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methoxy]benzoic 3,5-dichloro-4-[[5-(4-fluorophen…

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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) 5.89 10.42 -44.4 0 5 -1 75 395.193 5 ↓

Analogs

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Popular Name: N-ethyl-3-methyl-2-[(5-phenylisoxazol-3-yl)methoxy]benzamide N-ethyl-3-methyl-2-[(5-phenyliso…

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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) 4.70 9.48 -13.92 1 5 0 64 336.391 6 ↓

Analogs

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Popular Name: (Z)-2-hydroxy-4-oxo-4-[3-[(5-phenylisoxazol-3-yl)methoxy]phenyl]but-2-enoic (Z)-2-hydroxy-4-oxo-4-[3-[(5-phe…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8-1-V Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #1 Of 2), Viral Viruses 6000 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 6000 0.27 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) 2.42 11.5 -53.66 0 7 -1 110 364.333 8 ↓

Analogs

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Popular Name: N-(2-hydroxyethyl)-4-[(5-phenylisoxazol-3-yl)methoxy]benzamide N-(2-hydroxyethyl)-4-[(5-phenyli…

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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) 2.79 4.28 -14.73 2 6 0 85 338.363 7 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[(5-phenylisoxazol-3-yl)methoxy]benzamide N,N-dimethyl-4-[(5-phenylisoxazo…

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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 8.32 -13.71 0 5 0 56 322.364 5 ↓

Analogs

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Popular Name: N-methyl-2-[(5-phenylisoxazol-3-yl)methoxy]benzamide N-methyl-2-[(5-phenylisoxazol-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) 3.93 7.96 -14.17 1 5 0 64 308.337 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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