UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: acetic acid, (2-bromo-4-chlorophenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (2-bromo-4-chloroph…

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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) 5.28 12.85 -14.65 0 4 0 53 419.658 6 ↓

Analogs

31975935
31975935
31975940
31975940
31975946
31975946
31975957
31975957
31975989
31975989

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Popular Name: acetic acid, phenoxy-, 1-formyl-2-naphthalenyl ester acetic acid, phenoxy-, 1-formyl-…

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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) 3.86 11.69 -14.48 0 4 0 53 306.317 6 ↓

Analogs

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Popular Name: acetic acid, (2,4-dichlorophenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (2,4-dichlorophenox…

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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) 5.15 12.74 -14.77 0 4 0 53 375.207 6 ↓

Analogs

31975882
31975882

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Popular Name: acetic acid, (4-chlorophenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (4-chlorophenoxy)-,…

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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 12.21 -13.51 0 4 0 53 340.762 6 ↓

Analogs

31975957
31975957
31975996
31975996

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Popular Name: acetic acid, (4-methylphenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (4-methylphenoxy)-,…

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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) 4.31 12.36 -14.34 0 4 0 53 320.344 6 ↓

Analogs

31975940
31975940
31975957
31975957
31975989
31975989
31975996
31975996

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-methylphenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (2-methylphenoxy)-,…

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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 12.4 -14.32 0 4 0 53 320.344 6 ↓

Analogs

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Popular Name: acetic acid, (4-chloro-2-methylphenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (4-chloro-2-methylp…

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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) 4.92 12.91 -13.45 0 4 0 53 354.789 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (2-bromo-4-methylphenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (2-bromo-4-methylph…

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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) 5.05 13 -15.6 0 4 0 53 399.24 6 ↓

Analogs

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Popular Name: acetic acid, (2,4-dibromophenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (2,4-dibromophenoxy…

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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) 5.41 12.95 -14.54 0 4 0 53 464.109 6 ↓

Analogs

31975935
31975935

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Popular Name: acetic acid, (2-methoxyphenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (2-methoxyphenoxy)-…

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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 11.47 -18.18 0 5 0 62 336.343 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromophenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (4-bromophenoxy)-, …

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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 12.31 -13.5 0 4 0 53 385.213 6 ↓

Analogs

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Popular Name: acetic acid, (2,4-dibromo-6-methylphenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (2,4-dibromo-6-meth…

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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) 5.79 13.71 -12.11 0 4 0 53 478.136 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2-methylphenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (4-bromo-2-methylph…

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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) 5.05 13.02 -13.35 0 4 0 53 399.24 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2-chlorophenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (4-bromo-2-chloroph…

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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) 5.28 12.84 -14.71 0 4 0 53 419.658 6 ↓

Analogs

31975957
31975957
31975989
31975989
31975996
31975996

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-methoxyphenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (4-methoxyphenoxy)-…

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Activity (Go SEA)

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 10.97 -15.24 0 5 0 62 336.343 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2,6-dimethylphenoxy)-, 1-formyl-2-naphthalenyl ester acetic acid, (4-bromo-2,6-dimeth…

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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) 5.43 13.77 -12.46 0 4 0 53 413.267 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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