UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35016688
35016688

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Popular Name: 2-(2-ethoxyphenyl)ethyl 2-(2-ethoxyphenyl)ethyl

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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) 2.68 8.15 -35.23 1 5 -1 66 351.423 7 ↓
Mid Mid (pH 6-8) 3.43 9.26 -11.02 2 5 0 60 352.431 8 ↓

Analogs

35016686
35016686

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Popular Name: 2-(2-ethoxyphenyl)ethyl 2-(2-ethoxyphenyl)ethyl

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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) 2.68 8.15 -35.54 1 5 -1 66 351.423 7 ↓
Mid Mid (pH 6-8) 3.43 9.22 -11.21 2 5 0 60 352.431 8 ↓

Analogs

35016778
35016778

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Popular Name: 2-(4-fluorophenyl)ethyl 2-(4-fluorophenyl)ethyl

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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) 2.46 7.95 -33.21 1 4 -1 57 325.36 5 ↓
Mid Mid (pH 6-8) 3.21 9.05 -11.87 2 4 0 50 326.368 6 ↓

Analogs

35016776
35016776

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Popular Name: 2-(4-fluorophenyl)ethyl 2-(4-fluorophenyl)ethyl

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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) 2.46 7.95 -33.17 1 4 -1 57 325.36 5 ↓
Mid Mid (pH 6-8) 3.21 9.05 -11.87 2 4 0 50 326.368 6 ↓

Analogs

35016782
35016782

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Popular Name: phenethyl phenethyl

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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) 2.29 7.88 -33.2 1 4 -1 57 307.37 5 ↓
Mid Mid (pH 6-8) 3.04 8.98 -10.4 2 4 0 50 308.378 6 ↓

Analogs

35016780
35016780

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Popular Name: phenethyl phenethyl

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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) 2.29 7.88 -33.21 1 4 -1 57 307.37 5 ↓
Mid Mid (pH 6-8) 3.04 8.98 -10.39 2 4 0 50 308.378 6 ↓

Analogs

35016813
35016813

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Popular Name: 2-(2-methoxyphenyl)ethyl 2-(2-methoxyphenyl)ethyl

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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) 2.30 7.24 -35.45 1 5 -1 66 337.396 6 ↓
Mid Mid (pH 6-8) 3.05 8.34 -11.45 2 5 0 60 338.404 7 ↓

Analogs

35016811
35016811

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Popular Name: 2-(2-methoxyphenyl)ethyl 2-(2-methoxyphenyl)ethyl

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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) 2.30 7.24 -35.24 1 5 -1 66 337.396 6 ↓
Mid Mid (pH 6-8) 3.05 8.34 -11.3 2 5 0 60 338.404 7 ↓

Analogs

35016884
35016884
35016899
35016899
35016901
35016901

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Popular Name: 2-(2,3,4,5,6-pentafluorophenyl)ethyl 2-(2,3,4,5,6-pentafluorophenyl)e…

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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) 2.82 8.13 -31.94 1 4 -1 57 397.32 5 ↓
Mid Mid (pH 6-8) 3.57 9.23 -11.08 2 4 0 50 398.328 6 ↓

Analogs

35016899
35016899
35016901
35016901
35016882
35016882

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Popular Name: 2-(2,3,4,5,6-pentafluorophenyl)ethyl 2-(2,3,4,5,6-pentafluorophenyl)e…

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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) 2.82 8.13 -31.94 1 4 -1 57 397.32 5 ↓
Mid Mid (pH 6-8) 3.57 9.23 -11.06 2 4 0 50 398.328 6 ↓

Analogs

35016901
35016901
35016882
35016882
35016884
35016884

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Popular Name: 2-(2,3,5,6-tetrafluorophenyl)ethyl 2-(2,3,5,6-tetrafluorophenyl)ethyl

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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) 2.73 8.06 -33.16 1 4 -1 57 379.33 5 ↓
Mid Mid (pH 6-8) 3.48 9.16 -10.68 2 4 0 50 380.338 6 ↓

Analogs

35016882
35016882
35016884
35016884
35016899
35016899

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Popular Name: 2-(2,3,5,6-tetrafluorophenyl)ethyl 2-(2,3,5,6-tetrafluorophenyl)ethyl

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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) 2.73 8.06 -33.17 1 4 -1 57 379.33 5 ↓
Mid Mid (pH 6-8) 3.48 9.16 -10.7 2 4 0 50 380.338 6 ↓

Analogs

35016922
35016922

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 2.95 8.39 -33.24 1 4 -1 57 341.815 5 ↓
Mid Mid (pH 6-8) 3.70 9.49 -11.08 2 4 0 50 342.823 6 ↓

Analogs

35016920
35016920

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 2.95 8.39 -33.11 1 4 -1 57 341.815 5 ↓
Mid Mid (pH 6-8) 3.70 9.49 -10.99 2 4 0 50 342.823 6 ↓

Analogs

35016942
35016942

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Popular Name: 2-(2,6-difluorophenyl)ethyl 2-(2,6-difluorophenyl)ethyl

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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) 2.52 7.93 -35.39 1 4 -1 57 343.35 5 ↓
Mid Mid (pH 6-8) 3.27 9.04 -11.1 2 4 0 50 344.358 6 ↓

Analogs

35016940
35016940

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Popular Name: 2-(2,6-difluorophenyl)ethyl 2-(2,6-difluorophenyl)ethyl

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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) 2.52 7.93 -35.42 1 4 -1 57 343.35 5 ↓
Mid Mid (pH 6-8) 3.27 9.04 -11.11 2 4 0 50 344.358 6 ↓

Analogs

35016950
35016950

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Popular Name: 2-(2-nitrophenyl)ethyl 2-(2-nitrophenyl)ethyl

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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) 2.20 8.31 -41.37 1 7 -1 103 352.367 6 ↓
Mid Mid (pH 6-8) 2.95 9.4 -16.21 2 7 0 96 353.375 7 ↓

Analogs

35016948
35016948

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Popular Name: 2-(2-nitrophenyl)ethyl 2-(2-nitrophenyl)ethyl

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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) 2.20 8.31 -40.69 1 7 -1 103 352.367 6 ↓
Mid Mid (pH 6-8) 2.95 9.4 -15.69 2 7 0 96 353.375 7 ↓

Analogs

35016975
35016975

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Popular Name: 2-(3,5-difluorophenyl)ethyl 2-(3,5-difluorophenyl)ethyl

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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) 2.55 8.01 -32.86 1 4 -1 57 343.35 5 ↓
Mid Mid (pH 6-8) 3.30 9.12 -11.82 2 4 0 50 344.358 6 ↓

Analogs

35016973
35016973

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Popular Name: 2-(3,5-difluorophenyl)ethyl 2-(3,5-difluorophenyl)ethyl

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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) 2.55 8.01 -32.82 1 4 -1 57 343.35 5 ↓
Mid Mid (pH 6-8) 3.30 9.12 -11.85 2 4 0 50 344.358 6 ↓

Analogs

35016980
35016980

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Popular Name: 2-(2-chloro-4-fluoro-phenyl)ethyl 2-(2-chloro-4-fluoro-phenyl)ethyl

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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) 3.06 8.36 -33.66 1 4 -1 57 359.805 5 ↓
Mid Mid (pH 6-8) 3.81 9.47 -11.62 2 4 0 50 360.813 6 ↓

Analogs

35016978
35016978

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Popular Name: 2-(2-chloro-4-fluoro-phenyl)ethyl 2-(2-chloro-4-fluoro-phenyl)ethyl

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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) 3.06 8.36 -33.38 1 4 -1 57 359.805 5 ↓
Mid Mid (pH 6-8) 3.81 9.47 -11.41 2 4 0 50 360.813 6 ↓

Analogs

35016984
35016984

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Popular Name: 2-(2-chloro-6-fluoro-phenyl)ethyl 2-(2-chloro-6-fluoro-phenyl)ethyl

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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) 3.04 8.32 -34.92 1 4 -1 57 359.805 5 ↓
Mid Mid (pH 6-8) 3.79 9.43 -10.69 2 4 0 50 360.813 6 ↓

Analogs

35016982
35016982

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Popular Name: 2-(2-chloro-6-fluoro-phenyl)ethyl 2-(2-chloro-6-fluoro-phenyl)ethyl

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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) 3.04 8.32 -35 1 4 -1 57 359.805 5 ↓
Mid Mid (pH 6-8) 3.79 9.43 -10.73 2 4 0 50 360.813 6 ↓

Analogs

35016992
35016992

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Popular Name: 2-(3,4-difluorophenyl)ethyl 2-(3,4-difluorophenyl)ethyl

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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) 2.55 8 -34.64 1 4 -1 57 343.35 5 ↓
Mid Mid (pH 6-8) 3.30 9.1 -14.01 2 4 0 50 344.358 6 ↓

Analogs

35016990
35016990

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Popular Name: 2-(3,4-difluorophenyl)ethyl 2-(3,4-difluorophenyl)ethyl

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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) 2.55 8 -34.47 1 4 -1 57 343.35 5 ↓
Mid Mid (pH 6-8) 3.30 9.1 -13.85 2 4 0 50 344.358 6 ↓

Analogs

35017117
35017117

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Popular Name: 2-(2-ethoxyphenyl)ethyl 2-(2-ethoxyphenyl)ethyl

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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) 2.96 7.98 -44.49 1 7 -1 100 453.606 9 ↓
Mid Mid (pH 6-8) 3.72 9.09 -17.28 2 7 0 94 454.614 10 ↓

Analogs

35017115
35017115

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Popular Name: 2-(2-ethoxyphenyl)ethyl 2-(2-ethoxyphenyl)ethyl

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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) 2.96 8.03 -46.3 1 7 -1 100 453.606 9 ↓
Mid Mid (pH 6-8) 3.72 9.13 -18.84 2 7 0 94 454.614 10 ↓

Analogs

35017173
35017173

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 2.72 9.22 -37.38 1 6 -1 83 381.861 7 ↓
Mid Mid (pH 6-8) 3.47 10.32 -13.57 2 6 0 77 382.869 8 ↓

Analogs

35017171
35017171

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 2.72 9.22 -37.89 1 6 -1 83 381.861 7 ↓
Mid Mid (pH 6-8) 3.47 10.32 -14.15 2 6 0 77 382.869 8 ↓

Analogs

35017296
35017296
35017298
35017298
35017300
35017300

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Popular Name: 2-[3-(trifluoromethyl)phenyl]ethyl 2-[3-(trifluoromethyl)phenyl]ethyl

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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) 1.93 7.55 -37.23 3 7 -1 109 444.455 9 ↓
Mid Mid (pH 6-8) 2.68 8.65 -13.08 4 7 0 103 445.463 10 ↓
Mid Mid (pH 6-8) 1.93 7.89 -63.87 4 7 0 111 445.463 9 ↓

Analogs

35017298
35017298
35017300
35017300
35017294
35017294

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Popular Name: 2-[3-(trifluoromethyl)phenyl]ethyl 2-[3-(trifluoromethyl)phenyl]ethyl

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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) 1.93 7.55 -38.79 3 7 -1 109 444.455 9 ↓
Mid Mid (pH 6-8) 1.93 7.89 -62.34 4 7 0 111 445.463 9 ↓
Mid Mid (pH 6-8) 2.68 8.65 -13.78 4 7 0 103 445.463 10 ↓

Analogs

35017300
35017300
35017294
35017294
35017296
35017296

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Popular Name: 2-[3-(trifluoromethyl)phenyl]ethyl 2-[3-(trifluoromethyl)phenyl]ethyl

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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) 1.93 7.55 -35.99 3 7 -1 109 444.455 9 ↓
Mid Mid (pH 6-8) 2.68 9 -56.31 5 7 1 104 446.471 10 ↓
Mid Mid (pH 6-8) 1.93 7.89 -63.26 4 7 0 111 445.463 9 ↓

Analogs

35017294
35017294
35017296
35017296
35017298
35017298

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Popular Name: 2-[3-(trifluoromethyl)phenyl]ethyl 2-[3-(trifluoromethyl)phenyl]ethyl

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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) 1.93 7.55 -36.72 3 7 -1 109 444.455 9 ↓
Mid Mid (pH 6-8) 2.68 9 -55.64 5 7 1 104 446.471 10 ↓
Mid Mid (pH 6-8) 1.93 7.89 -62.88 4 7 0 111 445.463 9 ↓

Analogs

35017330
35017330

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Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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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) 2.54 11.28 -41.93 1 11 -1 155 496.543 13 ↓
Mid Mid (pH 6-8) 3.29 12.38 -20.56 2 11 0 149 497.551 14 ↓

Analogs

35017328
35017328

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Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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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) 2.54 11.28 -42.43 1 11 -1 155 496.543 13 ↓
Mid Mid (pH 6-8) 3.29 12.39 -21.06 2 11 0 149 497.551 14 ↓

Analogs

35017334
35017334

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 2.12 7.71 -38.63 2 10 -1 131 484.938 12 ↓
Mid Mid (pH 6-8) 2.87 8.83 -17.13 3 10 0 124 485.946 13 ↓

Analogs

35017332
35017332

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 2.12 7.71 -39.32 2 10 -1 131 484.938 12 ↓
Mid Mid (pH 6-8) 2.87 8.83 -17.67 3 10 0 124 485.946 13 ↓

Analogs

35017338
35017338

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 3.50 11.92 -37.41 1 9 -1 119 497.977 12 ↓
Mid Mid (pH 6-8) 4.25 13.03 -15.17 2 9 0 112 498.985 13 ↓

Analogs

35017336
35017336

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 3.50 11.91 -38.07 1 9 -1 119 497.977 12 ↓
Mid Mid (pH 6-8) 4.25 13.02 -15.9 2 9 0 112 498.985 13 ↓

Analogs

35017346
35017346

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 1.88 7.47 -45.94 1 9 -1 126 489.979 11 ↓
Mid Mid (pH 6-8) 2.63 8.58 -23.37 2 9 0 120 490.987 12 ↓

Analogs

35017344
35017344

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 1.88 7.47 -46.66 1 9 -1 126 489.979 11 ↓
Mid Mid (pH 6-8) 2.63 8.59 -24.15 2 9 0 120 490.987 12 ↓

Analogs

35017350
35017350

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Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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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) 0.90 8.52 -47.89 2 11 -1 158 463.492 11 ↓
Mid Mid (pH 6-8) 1.65 9.61 -26.34 3 11 0 152 464.5 12 ↓

Analogs

35017348
35017348

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Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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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) 0.90 8.52 -50.48 2 11 -1 158 463.492 11 ↓
Mid Mid (pH 6-8) 1.65 9.62 -28.87 3 11 0 152 464.5 12 ↓

Analogs

35017354
35017354

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 2.50 11.28 -59.27 2 7 0 87 439.965 10 ↓
Mid Mid (pH 6-8) 3.25 12.37 -49.68 3 7 1 81 440.973 11 ↓

Analogs

35017352
35017352

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Popular Name: 2-(3-chlorophenyl)ethyl 2-(3-chlorophenyl)ethyl

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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) 2.50 11.28 -58.87 2 7 0 87 439.965 10 ↓
Mid Mid (pH 6-8) 3.25 12.38 -49.4 3 7 1 81 440.973 11 ↓

Analogs

35017358
35017358

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Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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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) 1.82 11.19 -44.36 1 11 -1 155 464.476 12 ↓
Mid Mid (pH 6-8) 2.58 12.28 -22.51 2 11 0 149 465.484 13 ↓

Analogs

35017356
35017356

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Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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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) 1.82 11.19 -46.52 1 11 -1 155 464.476 12 ↓
Mid Mid (pH 6-8) 2.58 12.29 -24.66 2 11 0 149 465.484 13 ↓

Analogs

35017430
35017430

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Popular Name: 2-(5-chloro-2-methoxy-phenyl)ethyl 2-(5-chloro-2-methoxy-phenyl)ethyl

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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) 2.96 7.75 -34.57 1 5 -1 66 371.841 6 ↓
Mid Mid (pH 6-8) 3.71 8.85 -11.27 2 5 0 60 372.849 7 ↓

Analogs

35017428
35017428

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Popular Name: 2-(5-chloro-2-methoxy-phenyl)ethyl 2-(5-chloro-2-methoxy-phenyl)ethyl

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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) 2.96 7.75 -34.48 1 5 -1 66 371.841 6 ↓
Mid Mid (pH 6-8) 3.71 8.85 -11.16 2 5 0 60 372.849 7 ↓

Parameters Provided:

ring.id = 14778
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 = 14778 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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