UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [[4-(2-naphthyloxy)phenyl]methyleneamino]urea [[4-(2-naphthyloxy)phenyl]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) 4.28 6.3 -12.47 3 5 0 77 305.337 4 ↓

Analogs

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Popular Name: (1S)-1-[4-[(6-bromo-2-naphthyl)oxy]phenyl]ethanol (1S)-1-[4-[(6-bromo-2-naphthyl)o…

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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) 5.22 8.58 -5.54 1 2 0 29 343.22 3 ↓

Analogs

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Popular Name: (1R)-1-[4-[(6-bromo-2-naphthyl)oxy]phenyl]ethanol (1R)-1-[4-[(6-bromo-2-naphthyl)o…

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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) 5.22 8.54 -5.59 1 2 0 29 343.22 3 ↓

Analogs

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Popular Name: (1S)-1-[2-fluoro-6-(2-naphthyloxy)phenyl]ethanol (1S)-1-[2-fluoro-6-(2-naphthylox…

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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 8.16 -5.81 1 2 0 29 282.314 3 ↓

Analogs

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Popular Name: (1R)-1-[2-fluoro-6-(2-naphthyloxy)phenyl]ethanol (1R)-1-[2-fluoro-6-(2-naphthylox…

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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 8.16 -5.92 1 2 0 29 282.314 3 ↓

Analogs

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Popular Name: (1S)-1-[4-(2-naphthyloxy)phenyl]ethanol (1S)-1-[4-(2-naphthyloxy)phenyl]…

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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) 4.44 7.98 -6.5 1 2 0 29 264.324 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(2-naphthyloxy)phenyl]ethanol (1R)-1-[4-(2-naphthyloxy)phenyl]…

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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) 4.44 7.94 -6.52 1 2 0 29 264.324 3 ↓

Analogs

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Popular Name: (1S)-1-[3-fluoro-4-(2-naphthyloxy)phenyl]ethanol (1S)-1-[3-fluoro-4-(2-naphthylox…

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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 8.05 -7.92 1 2 0 29 282.314 3 ↓

Analogs

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Popular Name: (1R)-1-[3-fluoro-4-(2-naphthyloxy)phenyl]ethanol (1R)-1-[3-fluoro-4-(2-naphthylox…

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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 8 -7.97 1 2 0 29 282.314 3 ↓

Analogs

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Popular Name: (1S)-1-[5-fluoro-2-(2-naphthyloxy)phenyl]ethanol (1S)-1-[5-fluoro-2-(2-naphthylox…

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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 8.01 -5.14 1 2 0 29 282.314 3 ↓

Analogs

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Popular Name: (1R)-1-[5-fluoro-2-(2-naphthyloxy)phenyl]ethanol (1R)-1-[5-fluoro-2-(2-naphthylox…

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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 8 -5.14 1 2 0 29 282.314 3 ↓

Analogs

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Popular Name: 2-(2-naphthyloxy)-5-nitro-aniline 2-(2-naphthyloxy)-5-nitro-aniline

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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) 4.25 8.28 -6.87 2 5 0 81 280.283 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(7-hydroxy-2-naphthyl)oxy]benzonitrile 5-chloro-2-[(7-hydroxy-2-naphthy…

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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) 4.73 7.67 -8.86 1 3 0 53 295.725 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(3-hydroxy-2-naphthyl)oxy]benzonitrile 5-chloro-2-[(3-hydroxy-2-naphthy…

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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 8.42 -7.62 1 3 0 53 295.725 2 ↓
Hi High (pH 8-9.5) 4.72 9.32 -46 0 3 -1 56 294.717 2 ↓

Analogs

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Popular Name: 5-chloro-2-(2-naphthyloxy)benzamidine 5-chloro-2-(2-naphthyloxy)benzam…

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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 7.75 -32.02 4 3 1 61 297.765 3 ↓

Analogs

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Popular Name: 2-chloro-6-(2-naphthyloxy)benzamidine 2-chloro-6-(2-naphthyloxy)benzam…

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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 7.4 -28.54 4 3 1 61 297.765 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(7-hydroxy-2-naphthyl)oxy]benzonitrile 2-chloro-6-[(7-hydroxy-2-naphthy…

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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) 4.71 7.66 -10.68 1 3 0 53 295.725 2 ↓

Analogs

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Popular Name: 2-chloro-6-[(3-hydroxy-2-naphthyl)oxy]benzonitrile 2-chloro-6-[(3-hydroxy-2-naphthy…

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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) 4.69 8.32 -9.6 1 3 0 53 295.725 2 ↓
Hi High (pH 8-9.5) 4.69 9.23 -48.66 0 3 -1 56 294.717 2 ↓

Analogs

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Popular Name: 2-chloro-6-(2-naphthyloxy)benzenecarbothioamide 2-chloro-6-(2-naphthyloxy)benzen…

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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) 5.26 9.26 -14.23 2 2 0 35 313.809 3 ↓

Analogs

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Popular Name: 2-cyano-N-[[4-(2-naphthyloxy)phenyl]methyl]acetamide 2-cyano-N-[[4-(2-naphthyloxy)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) 3.21 1.18 -19.33 1 4 0 62 316.36 5 ↓

Analogs

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Popular Name: (1R)-1-[2-fluoro-6-(2-naphthyloxy)phenyl]ethanamine (1R)-1-[2-fluoro-6-(2-naphthylox…

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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 8.39 -38.03 3 2 1 37 282.338 3 ↓
Hi High (pH 8-9.5) 2.81 8.13 -6.04 2 2 0 35 281.33 3 ↓

Analogs

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Popular Name: (1S)-1-[2-fluoro-6-(2-naphthyloxy)phenyl]ethanamine (1S)-1-[2-fluoro-6-(2-naphthylox…

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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 8.49 -38 3 2 1 37 282.338 3 ↓
Hi High (pH 8-9.5) 2.81 8.16 -4.94 2 2 0 35 281.33 3 ↓

Analogs

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Popular Name: 4-(2-naphthyloxy)benzaldehyde 4-(2-naphthyloxy)benzaldehyde

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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) 5.29 7.69 -8.66 1 3 0 42 263.296 3 ↓

Analogs

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Popular Name: 4-(2-naphthyloxy)benzenecarbothioamide 4-(2-naphthyloxy)benzenecarbothi…

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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) 4.67 -1.44 -12.88 2 2 0 35 279.364 3 ↓

Analogs

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Popular Name: 4-[2-[4-(2-naphthyloxy)phenyl]ethylamino]-4-oxo-butanoic 4-[2-[4-(2-naphthyloxy)phenyl]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) 3.95 -0.28 -52.18 1 5 -1 78 362.405 8 ↓

Analogs

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Popular Name: 2-(2-naphthyloxy)benzenecarbothioamide 2-(2-naphthyloxy)benzenecarbothi…

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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) 4.63 8.81 -19.82 2 2 0 35 279.364 3 ↓

Analogs

21789047
21789047
39043911
39043911

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Popular Name: 4-(2-naphthyloxy)benzoic 4-(2-naphthyloxy)benzoic

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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) 4.79 1.55 -50.17 0 3 -1 49 263.272 3 ↓

Analogs

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Popular Name: 3-(2-carboxy-4-nitro-phenoxy)naphthalene-2-carboxylic 3-(2-carboxy-4-nitro-phenoxy)nap…

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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 10.52 -130.46 0 8 -2 135 351.27 5 ↓

Analogs

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Popular Name: 3-[2-carboxy-4-(diethylsulfamoyl)phenoxy]naphthalene-2-carboxylic 3-[2-carboxy-4-(diethylsulfamoyl…

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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) 4.78 9.56 -147.02 0 8 -2 127 441.461 8 ↓

Analogs

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Popular Name: 3-(3-carboxy-4-nitro-phenoxy)naphthalene-2-carboxylic 3-(3-carboxy-4-nitro-phenoxy)nap…

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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) 4.77 10.66 -113.13 0 8 -2 135 351.27 5 ↓

Analogs

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Popular Name: 3-[4-(carboxymethylcarbamoyl)-2-nitro-phenoxy]naphthalene-2-carboxylic 3-[4-(carboxymethylcarbamoyl)-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) 2.21 9.11 -107.39 1 10 -2 164 408.322 7 ↓

Analogs

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Popular Name: 3-[4-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]-2-nitro-phenoxy]naphthalene-2-carboxylic 3-[4-[[(1S)-2-hydroxy-1-methyl-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) 2.00 9.97 -107.32 1 10 -2 164 422.349 7 ↓

Analogs

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Popular Name: 3-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-nitro-phenoxy]naphthalene-2-carboxylic 3-[4-[(E)-3-hydroxy-3-oxo-prop-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) 4.65 11.72 -112.36 0 8 -2 135 377.308 6 ↓

Analogs

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Popular Name: 3-(2-carboxy-4-sulfamoyl-phenoxy)naphthalene-2-carboxylic 3-(2-carboxy-4-sulfamoyl-phenoxy…

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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) 3.41 4.8 -145.18 2 8 -2 150 385.353 5 ↓

Analogs

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Popular Name: 3-(4-carboxy-2-nitro-phenoxy)naphthalene-2-carboxylic 3-(4-carboxy-2-nitro-phenoxy)nap…

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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) 4.59 10.52 -106.97 0 8 -2 135 351.27 5 ↓

Analogs

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Popular Name: 3-[2-carboxy-4-(methylsulfamoyl)phenoxy]naphthalene-2-carboxylic 3-[2-carboxy-4-(methylsulfamoyl)…

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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) 3.78 6.02 -145.42 1 8 -2 136 399.38 6 ↓

Analogs

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Popular Name: 4-chloro-2-[(7-hydroxy-2-naphthyl)oxy]benzonitrile 4-chloro-2-[(7-hydroxy-2-naphthy…

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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) 4.73 7.67 -9.35 1 3 0 53 295.725 2 ↓

Analogs

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Popular Name: 4-chloro-2-[(3-hydroxy-2-naphthyl)oxy]benzonitrile 4-chloro-2-[(3-hydroxy-2-naphthy…

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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 8.43 -8.6 1 3 0 53 295.725 2 ↓
Hi High (pH 8-9.5) 4.72 9.33 -49.38 0 3 -1 56 294.717 2 ↓

Analogs

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Popular Name: 4-chloro-2-(2-naphthyloxy)benzamidine 4-chloro-2-(2-naphthyloxy)benzam…

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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 7.75 -34.03 4 3 1 61 297.765 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(7-hydroxy-2-naphthyl)oxy]benzonitrile 3-chloro-4-[(7-hydroxy-2-naphthy…

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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) 4.73 7.69 -8.27 1 3 0 53 295.725 2 ↓

Analogs

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Popular Name: 3-chloro-4-[(3-hydroxy-2-naphthyl)oxy]benzonitrile 3-chloro-4-[(3-hydroxy-2-naphthy…

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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 8.44 -7.31 1 3 0 53 295.725 2 ↓
Hi High (pH 8-9.5) 4.72 9.35 -43.77 0 3 -1 56 294.717 2 ↓

Analogs

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Popular Name: [3-chloro-4-(2-naphthyloxy)phenyl]methanamine [3-chloro-4-(2-naphthyloxy)pheny…

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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) 4.66 8.16 -51.21 3 2 1 37 284.766 3 ↓
Hi High (pH 8-9.5) 4.66 7.76 -5.78 2 2 0 35 283.758 3 ↓

Analogs

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Popular Name: 3-chloro-4-(2-naphthyloxy)benzamidine 3-chloro-4-(2-naphthyloxy)benzam…

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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 8.02 -37.72 4 3 1 61 297.765 3 ↓

Analogs

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Popular Name: 4-amino-2-(2-naphthyloxy)benzoic 4-amino-2-(2-naphthyloxy)benzoic

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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 8.7 -62.09 2 4 -1 75 278.287 3 ↓

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Popular Name: 2-fluoro-6-(2-naphthyloxy)benzonitrile 2-fluoro-6-(2-naphthyloxy)benzon…

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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 10.04 -10.18 0 2 0 33 263.271 2 ↓

Analogs

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Popular Name: 2-[(6-bromo-2-naphthyl)oxy]-5-fluoro-benzaldehyde 2-[(6-bromo-2-naphthyl)oxy]-5-fl…

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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) 5.54 10.04 -6.7 0 2 0 26 345.167 3 ↓

Analogs

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Popular Name: 5-fluoro-2-(2-naphthyloxy)benzaldehyde 5-fluoro-2-(2-naphthyloxy)benzal…

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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) 4.76 9.44 -6.62 0 2 0 26 266.271 3 ↓

Analogs

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Popular Name: 5-fluoro-2-(2-naphthyloxy)benzoic 5-fluoro-2-(2-naphthyloxy)benzoic

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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 10.9 -54.29 0 3 -1 49 281.262 3 ↓

Analogs

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Popular Name: [2-[(6-bromo-2-naphthyl)oxy]-5-fluoro-phenyl]methanol [2-[(6-bromo-2-naphthyl)oxy]-5-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) 5.09 7.79 -5.7 1 2 0 29 347.183 3 ↓

Analogs

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Popular Name: [5-fluoro-2-(2-naphthyloxy)phenyl]methanol [5-fluoro-2-(2-naphthyloxy)pheny…

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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 7.18 -6.09 1 2 0 29 268.287 3 ↓

Parameters Provided:

ring.id = 11568
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 = 11568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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