UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4227871
4227871
4227872
4227872
4227873
4227873

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Popular Name: 4-hydroxy-3-(4-isopropylphenoxy)-2-(trifluoromethyl)chromen-7-one 4-hydroxy-3-(4-isopropylphenoxy)…

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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) 5.64 8.63 -12.34 1 4 0 60 364.319 4 ↓
Hi High (pH 8-9.5) 5.64 9.43 -36.5 0 4 -1 63 363.311 4 ↓

Analogs

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Popular Name: (2R)-2-[3-(4-fluorophenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2R)-2-[3-(4-fluorophenoxy)-4-ox…

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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) 3.31 3.51 -47.48 0 6 -1 89 343.286 5 ↓

Analogs

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Popular Name: (2S)-2-[3-(4-fluorophenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2S)-2-[3-(4-fluorophenoxy)-4-ox…

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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) 3.31 3.5 -47.23 0 6 -1 89 343.286 5 ↓

Analogs

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Popular Name: 4-[3-(3,5-dimethylphenoxy)-2-methyl-4-oxo-chromen-7-yl]oxybutanoic 4-[3-(3,5-dimethylphenoxy)-2-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) 4.37 3.15 -52.81 0 6 -1 89 381.404 7 ↓

Analogs

11954324
11954324

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Popular Name: 4-[3-(4-isopropylphenoxy)-4-oxo-chromen-7-yl]oxybutanoic 4-[3-(4-isopropylphenoxy)-4-oxo-…

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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) 4.83 3.17 -50.99 0 6 -1 89 381.404 8 ↓

Analogs

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Popular Name: (2R)-2-[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic (2R)-2-[3-(2,5-dimethylphenoxy)-…

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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 4.04 -49.17 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: (2S)-2-[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic (2S)-2-[3-(2,5-dimethylphenoxy)-…

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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 3.94 -51.47 0 6 -1 89 381.404 6 ↓

Analogs

11957336
11957336
11957341
11957341

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Popular Name: (2R)-2-[3-(2,6-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic (2R)-2-[3-(2,6-dimethylphenoxy)-…

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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 3.97 -48.59 0 6 -1 89 381.404 6 ↓

Analogs

11957336
11957336
11957341
11957341

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Popular Name: (2S)-2-[3-(2,6-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic (2S)-2-[3-(2,6-dimethylphenoxy)-…

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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 3.9 -51.61 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: (2R)-2-[3-(2,4-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic (2R)-2-[3-(2,4-dimethylphenoxy)-…

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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 4.07 -49.84 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: (2S)-2-[3-(2,4-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic (2S)-2-[3-(2,4-dimethylphenoxy)-…

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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 3.93 -53.64 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: 3-[3-(2-methoxyphenoxy)-4-oxo-chromen-7-yl]oxy-2,2-dimethyl-propanoic 3-[3-(2-methoxyphenoxy)-4-oxo-ch…

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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) 3.75 3.31 -51.63 0 7 -1 98 383.376 7 ↓

Analogs

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Popular Name: 3-[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-2,2-dimethyl-propanoic 3-[3-(2,5-dimethylphenoxy)-4-oxo…

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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 3.68 -48.44 0 6 -1 89 381.404 6 ↓

Analogs

11951212
11951212
11951217
11951217

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Popular Name: (2R)-2-[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2R)-2-[3-(3,5-dimethylphenoxy)-…

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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) 3.97 3.41 -48.55 0 6 -1 89 353.35 5 ↓

Analogs

11951212
11951212
11951217
11951217

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Popular Name: (2S)-2-[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2S)-2-[3-(3,5-dimethylphenoxy)-…

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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) 3.97 3.41 -48.27 0 6 -1 89 353.35 5 ↓

Analogs

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Popular Name: 3-[3-(2,6-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-2,2-dimethyl-propanoic 3-[3-(2,6-dimethylphenoxy)-4-oxo…

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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) 4.74 3.72 -48.48 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: (2S)-2-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxo-chromen-7-yl]oxypropanoic (2S)-2-[3-(3,5-dimethylphenoxy)-…

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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 3.65 -49.04 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: (2R)-2-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxo-chromen-7-yl]oxypropanoic (2R)-2-[3-(3,5-dimethylphenoxy)-…

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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 3.65 -48.97 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: (2S)-2-[3-(2-ethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2S)-2-[3-(2-ethylphenoxy)-4-oxo…

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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 3.32 -50.22 0 6 -1 89 353.35 6 ↓

Analogs

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Popular Name: (2R)-2-[3-(2-ethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2R)-2-[3-(2-ethylphenoxy)-4-oxo…

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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 3.26 -48.87 0 6 -1 89 353.35 6 ↓

Analogs

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Popular Name: 3-[3-(2,4-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-2,2-dimethyl-propanoic 3-[3-(2,4-dimethylphenoxy)-4-oxo…

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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 3.74 -50.47 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: (2S)-2-[3-(2-isopropyl-5-methyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2S)-2-[3-(2-isopropyl-5-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) 4.56 3.94 -48.52 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: (2R)-2-[3-(2-isopropyl-5-methyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2R)-2-[3-(2-isopropyl-5-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) 4.56 3.94 -48.96 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: (2R)-2-[3-(3,4-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2R)-2-[3-(3,4-dimethylphenoxy)-…

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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) 3.97 3.36 -50.2 0 6 -1 89 353.35 5 ↓

Analogs

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Popular Name: (2S)-2-[3-(3,4-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2S)-2-[3-(3,4-dimethylphenoxy)-…

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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) 3.97 3.37 -48.36 0 6 -1 89 353.35 5 ↓

Analogs

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Popular Name: 3-[3-(3,5-dimethylphenoxy)-2-ethyl-4-oxo-chromen-7-yl]oxypropanoic 3-[3-(3,5-dimethylphenoxy)-2-eth…

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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 3.07 -48.27 0 6 -1 89 381.404 7 ↓

Analogs

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Popular Name: 3-[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic 3-[3-(3,5-dimethylphenoxy)-4-oxo…

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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 2.86 -47.44 0 6 -1 89 353.35 6 ↓

Analogs

11952455
11952455

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Popular Name: 3-[3-(2-isopropyl-5-methyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic 3-[3-(2-isopropyl-5-methyl-pheno…

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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) 4.47 3.36 -47.76 0 6 -1 89 381.404 7 ↓

Analogs

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Popular Name: (2S)-2-[3-(3-methoxyphenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2S)-2-[3-(3-methoxyphenoxy)-4-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) 3.17 2.8 -50.13 0 7 -1 98 355.322 6 ↓

Analogs

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Popular Name: (2R)-2-[3-(3-methoxyphenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2R)-2-[3-(3-methoxyphenoxy)-4-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) 3.17 2.78 -49.83 0 7 -1 98 355.322 6 ↓

Analogs

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Popular Name: 3-[3-(2-ethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic 3-[3-(2-ethylphenoxy)-4-oxo-chro…

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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) 3.92 2.69 -47.72 0 6 -1 89 353.35 7 ↓

Analogs

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Popular Name: 2-[3-(3,5-dimethylphenoxy)-2-methyl-4-oxo-chromen-7-yl]oxy-2-methyl-propanoic 2-[3-(3,5-dimethylphenoxy)-2-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) 4.64 3.63 -52.59 0 6 -1 89 381.404 5 ↓

Analogs

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Popular Name: 3-[3-(3,4-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic 3-[3-(3,4-dimethylphenoxy)-4-oxo…

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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 2.79 -49.52 0 6 -1 89 353.35 6 ↓

Analogs

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Popular Name: 3-[3-(3-methoxyphenoxy)-4-oxo-chromen-7-yl]oxypropanoic 3-[3-(3-methoxyphenoxy)-4-oxo-ch…

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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) 3.08 2.24 -49.13 0 7 -1 98 355.322 7 ↓

Analogs

11953061
11953061

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Popular Name: 2-[3-(4-isopropylphenoxy)-4-oxo-chromen-7-yl]oxy-2-methyl-propanoic 2-[3-(4-isopropylphenoxy)-4-oxo-…

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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) 5.10 3.63 -49.99 0 6 -1 89 381.404 6 ↓

Analogs

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Popular Name: 4-[3-(3-methylphenoxy)-4-oxo-chromen-7-yl]oxybutanoic 4-[3-(3-methylphenoxy)-4-oxo-chr…

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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 2.69 -51.71 0 6 -1 89 353.35 7 ↓

Analogs

11955351
11955351

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Popular Name: 4-[3-(2-methylphenoxy)-4-oxo-chromen-7-yl]oxybutanoic 4-[3-(2-methylphenoxy)-4-oxo-chr…

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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 2.68 -51.75 0 6 -1 89 353.35 7 ↓

Analogs

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Popular Name: 2-[3-(2-ethoxyphenoxy)-4-oxo-chromen-7-yl]oxy-2-methyl-propanoic 2-[3-(2-ethoxyphenoxy)-4-oxo-chr…

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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 3.18 -54.82 0 7 -1 98 383.376 7 ↓

Analogs

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Popular Name: 4-[3-(2-ethoxyphenoxy)-4-oxo-chromen-7-yl]oxybutanoic 4-[3-(2-ethoxyphenoxy)-4-oxo-chr…

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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 2.64 -54.86 0 7 -1 98 383.376 9 ↓

Analogs

11823461
11823461

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Popular Name: (2S)-2-[3-(3-methoxyphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic (2S)-2-[3-(3-methoxyphenoxy)-4-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) 3.92 3.23 -52.39 0 7 -1 98 383.376 7 ↓

Analogs

11823458
11823458

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Popular Name: (2R)-2-[3-(3-methoxyphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic (2R)-2-[3-(3-methoxyphenoxy)-4-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) 3.92 3.4 -50.57 0 7 -1 98 383.376 7 ↓

Analogs

11826046
11826046
11863660
11863660
11863661
11863661
1960918
1960918

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Popular Name: (2R)-2-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2R)-2-[3-(4-chloro-3,5-dimethyl…

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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) 4.57 3.26 -46.96 0 6 -1 89 387.795 5 ↓

Analogs

11863660
11863660
11863661
11863661
11826042
11826042

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Popular Name: (2S)-2-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2S)-2-[3-(4-chloro-3,5-dimethyl…

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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) 4.57 3.24 -46.79 0 6 -1 89 387.795 5 ↓

Analogs

39549752
39549752
39549756
39549756
2612709
2612709
2612739
2612739
2612742
2612742

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Popular Name: 4-[3-(4-chloro-3-methyl-phenoxy)-4-oxo-chromen-7-yl]oxybutanoic 4-[3-(4-chloro-3-methyl-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) 4.37 2.53 -50.14 0 6 -1 89 387.795 7 ↓

Analogs

11827055
11827055

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Popular Name: (2R)-2-[3-(2-chlorophenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2R)-2-[3-(2-chlorophenoxy)-4-ox…

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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) 3.77 2.69 -50.28 0 6 -1 89 359.741 5 ↓

Analogs

11827052
11827052

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Popular Name: (2S)-2-[3-(2-chlorophenoxy)-4-oxo-chromen-7-yl]oxypropanoic (2S)-2-[3-(2-chlorophenoxy)-4-ox…

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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) 3.77 2.69 -50.09 0 6 -1 89 359.741 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-chlorophenoxy)-4-oxo-chromen-7-yl]oxy-2,2-dimethyl-propanoic 3-[3-(2-chlorophenoxy)-4-oxo-chr…

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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) 4.57 2.93 -50.19 0 6 -1 89 387.795 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-chlorophenoxy)-4-oxo-chromen-7-yl]oxypropanoic 3-[3-(4-chlorophenoxy)-4-oxo-chr…

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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 2.05 -46.15 0 6 -1 89 359.741 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(4-fluorophenoxy)-4-oxo-chromen-7-yl]oxybutanoic 4-[3-(4-fluorophenoxy)-4-oxo-chr…

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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 3.1 -50.59 0 6 -1 89 357.313 7 ↓

Analogs

11864159
11864159
11892297
11892297
11951348
11951348

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxo-3-phenoxy-chromen-7-yl)oxypropanoic 3-(4-oxo-3-phenoxy-chromen-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) 3.05 2.22 -47.8 0 6 -1 89 325.296 6 ↓

Parameters Provided:

ring.id = 2055
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 = 2055 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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