UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: acetic acid, (4-nitrophenoxy)-, 4-bromophenyl ester acetic acid, (4-nitrophenoxy)-, …

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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 2.7 -13.16 0 6 0 81 352.14 6 ↓

Analogs

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Popular Name: acetic acid, (2-bromo-4-chlorophenoxy)-, 2,4-bis(1,1-dimethylethyl)phenyl 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) 7.72 4.24 -10.15 0 3 0 36 453.804 7 ↓

Analogs

13013273
13013273

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Popular Name: (3-fluorophenyl) (3-fluorophenyl)

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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 10.05 -11.79 0 4 0 59 285.274 5 ↓

Analogs

13013271
13013271

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Popular Name: (3-fluorophenyl) (3-fluorophenyl)

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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 10.09 -11.52 0 4 0 59 285.274 5 ↓

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) 4.04 11.32 -17.46 0 6 0 71 439.233 9 ↓

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) 4.33 11.94 -16.52 0 6 0 71 435.27 9 ↓

Analogs

5743867
5743867

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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) 4.42 11.69 -14.88 0 6 0 71 411.237 9 ↓

Analogs

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Popular Name: (2-chloro-4-cyano-phenyl) (2-chloro-4-cyano-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) 4.19 10.89 -13.94 0 4 0 59 355.699 6 ↓

Analogs

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Popular Name: (2-chloro-4-cyano-phenyl) (2-chloro-4-cyano-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) 4.74 11.74 -10.38 0 4 0 59 350.201 5 ↓

Analogs

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Popular Name: (2-chloro-4-cyano-phenyl) (2-chloro-4-cyano-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) 3.28 10.58 -16.01 0 7 0 105 332.699 6 ↓

Analogs

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Popular Name: (2-chloro-4-cyano-phenyl) (2-chloro-4-cyano-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) 3.74 11.61 -14.3 0 5 0 69 357.793 8 ↓

Analogs

5724938
5724938

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Popular Name: 2-(3-bromophenoxy)acetic-acid-(4-chloro-2-methyl-phenyl)-ester 2-(3-bromophenoxy)acetic-acid-(4…

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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 2.33 -7.96 0 3 0 35 355.615 5 ↓

Analogs

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Popular Name: (2S)-2-(4-chloro-2-methyl-phenoxy)propionic-acid-[4-[(E)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]- (2S)-2-(4-chloro-2-methyl-phenox…

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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) 4.17 3.7 -14.39 1 7 0 97 454.91 10 ↓

Analogs

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Popular Name: (2R)-2-(4-chloro-2-methyl-phenoxy)propionic-acid-[4-[(E)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]- (2R)-2-(4-chloro-2-methyl-phenox…

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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) 4.17 3.7 -14.33 1 7 0 97 454.91 10 ↓

Analogs

41013887
41013887
41013908
41013908
41014150
41014150
41014718
41014718

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Popular Name: 2-(4-methylphenoxy)acetic-acid-[4-[(E)-2-cyanovinyl]-2-methoxy-phenyl]-ester 2-(4-methylphenoxy)acetic-acid-[…

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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 5.31 -16.05 0 5 0 68 323.348 7 ↓

Analogs

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Popular Name: acetic acid, (2-bromo-4-chlorophenoxy)-, 4-formylphenyl 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) 4.17 9.86 -15.8 0 4 0 53 369.598 6 ↓

Analogs

31975967
31975967
5746726
5746726

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Popular Name: acetic acid, (2,4-dichlorophenoxy)-, 4-formylphenyl 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) 4.04 9.75 -15.91 0 4 0 53 325.147 6 ↓

Analogs

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Popular Name: acetic acid, (4-bromo-2-chlorophenoxy)-, 4-formylphenyl 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) 4.17 9.85 -15.82 0 4 0 53 369.598 6 ↓

Analogs

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Popular Name: acetic acid, (4-bromo-2,6-dimethylphenoxy)-, 4-formylphenyl 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) 4.31 10.77 -12.58 0 4 0 53 363.207 6 ↓

Analogs

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Popular Name: acetic acid, (2-bromo-4-chlorophenoxy)-, 3-formylphenyl 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) 4.14 9.83 -17.44 0 4 0 53 369.598 6 ↓

Analogs

31975885
31975885
31975970
31975970

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Popular Name: acetic acid, (2,4-dichlorophenoxy)-, 3-formylphenyl 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) 4.01 9.72 -17.63 0 4 0 53 325.147 6 ↓

Analogs

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Popular Name: acetic acid, (4-chloro-2-methylphenoxy)-, 3-formylphenyl 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) 3.78 9.9 -15.95 0 4 0 53 304.729 6 ↓

Analogs

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Popular Name: acetic acid, (2-bromo-4-methylphenoxy)-, 3-formylphenyl 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) 3.91 9.99 -18.15 0 4 0 53 349.18 6 ↓

Analogs

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Popular Name: acetic acid, (2,4-dibromophenoxy)-, 3-formylphenyl 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) 4.27 9.93 -17.34 0 4 0 53 414.049 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2-methylphenoxy)-, 3-formylphenyl 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) 3.91 10.01 -15.83 0 4 0 53 349.18 6 ↓

Analogs

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Popular Name: acetic acid, (4-bromo-2-chlorophenoxy)-, 3-formylphenyl 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) 4.14 9.82 -17.54 0 4 0 53 369.598 6 ↓

Analogs

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Popular Name: acetic acid, (4-bromo-2,6-dimethylphenoxy)-, 3-formylphenyl 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) 4.29 10.75 -10.64 0 4 0 53 363.207 6 ↓

Analogs

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Popular Name: acetic acid, (2-bromo-4-chlorophenoxy)-, 2-formylphenyl 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) 4.12 9.83 -14.23 0 4 0 53 369.598 6 ↓

Analogs

31975882
31975882
31975966
31975966

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Popular Name: acetic acid, (2,4-dichlorophenoxy)-, 2-formylphenyl 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) 3.99 9.72 -14.38 0 4 0 53 325.147 6 ↓

Analogs

31975882
31975882

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Popular Name: acetic acid, (4-chloro-2-methylphenoxy)-, 2-formylphenyl 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) 3.76 9.91 -12.34 0 4 0 53 304.729 6 ↓

Analogs

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Popular Name: acetic acid, (2-bromo-4-methylphenoxy)-, 2-formylphenyl 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) 3.89 9.99 -14.33 0 4 0 53 349.18 6 ↓

Analogs

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Popular Name: acetic acid, (2,4-dibromophenoxy)-, 2-formylphenyl 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) 4.25 9.94 -14.19 0 4 0 53 414.049 6 ↓

Analogs

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Popular Name: acetic acid, (2,4-dibromo-6-methylphenoxy)-, 2-formylphenyl 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) 4.63 11.54 -12.44 0 4 0 53 428.076 6 ↓

Analogs

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Popular Name: acetic acid, (4-bromo-2-methylphenoxy)-, 2-formylphenyl 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) 3.89 10.02 -12.26 0 4 0 53 349.18 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic acid, (4-bromo-2-chlorophenoxy)-, 2-formylphenyl 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) 4.12 9.83 -14.27 0 4 0 53 369.598 6 ↓

Analogs

31975940
31975940

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Popular Name: acetic acid, (4-bromo-2,6-dimethylphenoxy)-, 2-formylphenyl 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) 4.27 11.6 -12.97 0 4 0 53 363.207 6 ↓

Analogs

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Popular Name: [4-(3-oxobutyl)phenyl] [4-(3-oxobutyl)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) 3.44 12.11 -21.01 0 5 0 70 354.402 9 ↓

Analogs

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Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 2.58 10.42 -15.55 0 6 0 86 339.347 8 ↓

Analogs

7406231
7406231
7406232
7406232

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Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 3.49 11.32 -11.69 0 5 0 69 325.364 7 ↓

Analogs

7406231
7406231
7406232
7406232

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Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 3.49 11.39 -11.97 0 5 0 69 325.364 7 ↓

Analogs

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Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 3.58 10.7 -14.91 0 5 0 69 394.196 7 ↓

Analogs

15988340
15988340

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Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 3.37 11.74 -15.43 0 6 0 78 367.401 9 ↓

Analogs

15988286
15988286
15988391
15988391
21758728
21758728

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Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 3.48 11.48 -11.39 0 5 0 69 325.364 7 ↓

Analogs

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Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 2.85 10.08 -12.6 0 5 0 69 315.3 7 ↓

Analogs

15988286
15988286
15988391
15988391
21758728
21758728

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-phenyl)

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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) 3.51 11.39 -12.05 0 5 0 69 325.364 7 ↓

Analogs

7406231
7406231
7406232
7406232

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-phenyl)

Find On: PubMed — Wikipedia — Google

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) 2.80 11.05 -14.41 0 6 0 92 336.347 7 ↓

Analogs

7406231
7406231
7406232
7406232

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-phenyl)

Find On: PubMed — Wikipedia — Google

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) 2.80 11.11 -14.37 0 6 0 92 336.347 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-phenyl)

Find On: PubMed — Wikipedia — Google

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) 2.82 10.08 -14.01 0 5 0 69 315.3 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-phenyl)

Find On: PubMed — Wikipedia — Google

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) 2.80 10.07 -15.92 0 5 0 69 315.3 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-phenyl)

Find On: PubMed — Wikipedia — Google

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) 3.60 11.45 -12.28 0 5 0 69 325.364 8 ↓

Parameters Provided:

ring.id = 1347
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 = 1347 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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