UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35016585
35016585

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Popular Name: benzyl benzyl

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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) 2.71 7.37 -32.98 1 4 -1 57 329.323 4 ↓
Mid Mid (pH 6-8) 3.46 8.47 -10.24 2 4 0 50 330.331 5 ↓

Analogs

35016583
35016583

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Popular Name: benzyl benzyl

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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) 2.71 7.37 -32.09 1 4 -1 57 329.323 4 ↓
Mid Mid (pH 6-8) 3.46 8.47 -10.3 2 4 0 50 330.331 5 ↓

Analogs

35016628
35016628

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Popular Name: 2-(3-thienyl)ethyl 2-(3-thienyl)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 6.8 -33.02 1 4 -1 57 313.399 5 ↓
Mid Mid (pH 6-8) 2.63 7.9 -10.6 2 4 0 50 314.407 6 ↓

Analogs

35016626
35016626

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Popular Name: 2-(3-thienyl)ethyl 2-(3-thienyl)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 6.8 -33.05 1 4 -1 57 313.399 5 ↓
Mid Mid (pH 6-8) 2.63 7.9 -10.63 2 4 0 50 314.407 6 ↓

Analogs

35016662
35016662

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Popular Name: 2-(2-bromo-3-thienyl)ethyl 2-(2-bromo-3-thienyl)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) 2.81 7.46 -33.71 1 4 -1 57 392.295 5 ↓
Mid Mid (pH 6-8) 3.56 8.57 -10.77 2 4 0 50 393.303 6 ↓

Analogs

35016660
35016660

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Popular Name: 2-(2-bromo-3-thienyl)ethyl 2-(2-bromo-3-thienyl)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) 2.81 7.46 -33.86 1 4 -1 57 392.295 5 ↓
Mid Mid (pH 6-8) 3.56 8.57 -10.94 2 4 0 50 393.303 6 ↓

Analogs

35016666
35016666
35016668
35016668
35016670
35016670

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Popular Name: [(Z)-3-(3-thienyl)allyl] [(Z)-3-(3-thienyl)allyl]

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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) 2.25 7.21 -33.61 1 4 -1 57 325.41 5 ↓
Mid Mid (pH 6-8) 3.00 8.3 -10.38 2 4 0 50 326.418 6 ↓

Analogs

35016668
35016668
35016670
35016670
35016664
35016664

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Popular Name: [(E)-3-(3-thienyl)allyl] [(E)-3-(3-thienyl)allyl]

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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) 2.25 7.36 -33.04 1 4 -1 57 325.41 5 ↓
Mid Mid (pH 6-8) 3.00 8.45 -10.73 2 4 0 50 326.418 6 ↓

Analogs

35016670
35016670
35016664
35016664
35016666
35016666

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Popular Name: [(Z)-3-(3-thienyl)allyl] [(Z)-3-(3-thienyl)allyl]

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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) 2.25 7.21 -33.74 1 4 -1 57 325.41 5 ↓
Mid Mid (pH 6-8) 3.00 8.3 -10.59 2 4 0 50 326.418 6 ↓

Analogs

35016664
35016664
35016668
35016668
35016666
35016666

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Popular Name: [(E)-3-(3-thienyl)allyl] [(E)-3-(3-thienyl)allyl]

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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) 2.25 7.36 -33.13 1 4 -1 57 325.41 5 ↓
Mid Mid (pH 6-8) 3.00 8.45 -10.77 2 4 0 50 326.418 6 ↓

Analogs

35016674
35016674

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Popular Name: 3-(2-furyl)propyl 3-(2-furyl)propyl

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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 6.78 -34.24 1 5 -1 70 311.358 6 ↓
Mid Mid (pH 6-8) 2.57 7.88 -11.94 2 5 0 63 312.366 7 ↓

Analogs

35016672
35016672

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Popular Name: 3-(2-furyl)propyl 3-(2-furyl)propyl

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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 6.78 -34.14 1 5 -1 70 311.358 6 ↓
Mid Mid (pH 6-8) 2.57 7.88 -11.85 2 5 0 63 312.366 7 ↓

Analogs

35016678
35016678

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Popular Name: 2-(3-thienyl)ethyl 2-(3-thienyl)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) 1.43 6.09 -33.44 1 4 -1 57 299.372 5 ↓
Mid Mid (pH 6-8) 1.80 7.41 -12.27 2 4 0 50 300.38 6 ↓

Analogs

35016676
35016676

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Popular Name: 2-(3-thienyl)ethyl 2-(3-thienyl)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) 1.43 6.08 -33.48 1 4 -1 57 299.372 5 ↓
Mid Mid (pH 6-8) 1.80 7.4 -12.32 2 4 0 50 300.38 6 ↓

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

35016692
35016692

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Popular Name: 2-(2-fluoro-3-thienyl)ethyl 2-(2-fluoro-3-thienyl)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) 2.17 6.93 -34.57 1 4 -1 57 331.389 5 ↓
Mid Mid (pH 6-8) 2.92 8.03 -11.41 2 4 0 50 332.397 6 ↓

Analogs

35016690
35016690

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Popular Name: 2-(2-fluoro-3-thienyl)ethyl 2-(2-fluoro-3-thienyl)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) 2.17 6.93 -34.87 1 4 -1 57 331.389 5 ↓
Mid Mid (pH 6-8) 2.92 8.03 -11.62 2 4 0 50 332.397 6 ↓

Analogs

35016708
35016708

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Popular Name: O4-ethyl O4-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 8.01 -34.05 1 6 -1 83 353.445 7 ↓
Hi High (pH 8-9.5) 1.86 7.14 -105.08 0 6 -2 83 352.437 7 ↓
Mid Mid (pH 6-8) 2.57 8.87 -14.17 2 6 0 77 354.453 8 ↓

Analogs

35016706
35016706

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Popular Name: O4-ethyl O4-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 8.19 -37.77 1 6 -1 83 353.445 7 ↓
Hi High (pH 8-9.5) 1.86 7.32 -113.41 0 6 -2 83 352.437 7 ↓
Mid Mid (pH 6-8) 2.57 8.87 -14.11 2 6 0 77 354.453 8 ↓

Analogs

35016719
35016719

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Popular Name: 3-(2-thienyl)propyl 3-(2-thienyl)propyl

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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 7.77 -33.16 1 4 -1 57 327.426 6 ↓
Mid Mid (pH 6-8) 3.21 8.87 -10.91 2 4 0 50 328.434 7 ↓

Analogs

35016717
35016717

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Popular Name: 3-(2-thienyl)propyl 3-(2-thienyl)propyl

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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 7.77 -33.18 1 4 -1 57 327.426 6 ↓
Mid Mid (pH 6-8) 3.21 8.87 -10.79 2 4 0 50 328.434 7 ↓

Analogs

35016733
35016733

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Popular Name: (3-chloro-4-methyl-2-thienyl)methyl (3-chloro-4-methyl-2-thienyl)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) 2.96 7.25 -33.48 1 4 -1 57 347.844 4 ↓
Mid Mid (pH 6-8) 3.71 8.34 -10.21 2 4 0 50 348.852 5 ↓

Analogs

35016731
35016731

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Popular Name: (3-chloro-4-methyl-2-thienyl)methyl (3-chloro-4-methyl-2-thienyl)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) 2.96 7.25 -33.3 1 4 -1 57 347.844 4 ↓
Mid Mid (pH 6-8) 3.71 8.31 -10.12 2 4 0 50 348.852 5 ↓

Analogs

35016737
35016737

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Popular Name: 3-(2-thienyl)propyl 3-(2-thienyl)propyl

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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) 2.02 7.07 -33.38 1 4 -1 57 313.399 6 ↓
Mid Mid (pH 6-8) 2.39 8.38 -12.38 2 4 0 50 314.407 7 ↓

Analogs

35016735
35016735

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Popular Name: 3-(2-thienyl)propyl 3-(2-thienyl)propyl

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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) 2.02 7.06 -33.45 1 4 -1 57 313.399 6 ↓
Mid Mid (pH 6-8) 2.39 8.36 -12.39 2 4 0 50 314.407 7 ↓

Analogs

35016751
35016751

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Popular Name: 2-(5-ethyl-2-furyl)ethyl 2-(5-ethyl-2-furyl)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) 2.34 7.59 -34.48 1 5 -1 70 325.385 6 ↓
Mid Mid (pH 6-8) 3.09 8.69 -11.75 2 5 0 63 326.393 7 ↓

Analogs

35016749
35016749

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Popular Name: 2-(5-ethyl-2-furyl)ethyl 2-(5-ethyl-2-furyl)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) 2.34 7.58 -34.27 1 5 -1 70 325.385 6 ↓
Mid Mid (pH 6-8) 3.09 8.66 -11.61 2 5 0 63 326.393 7 ↓

Analogs

35016757
35016757
35016759
35016759
35016761
35016761

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Popular Name: [(1S)-2-(2-bromo-3-thienyl)-1-methyl-ethyl] [(1S)-2-(2-bromo-3-thienyl)-1-me…

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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) 3.18 7.97 -35.41 1 4 -1 57 406.322 5 ↓
Mid Mid (pH 6-8) 3.93 8.73 -10.48 2 4 0 50 407.33 6 ↓

Analogs

35016759
35016759
35016761
35016761
35016755
35016755

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Popular Name: [(1S)-2-(2-bromo-3-thienyl)-1-methyl-ethyl] [(1S)-2-(2-bromo-3-thienyl)-1-me…

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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) 3.18 8.05 -35.62 1 4 -1 57 406.322 5 ↓
Mid Mid (pH 6-8) 3.93 9.13 -10.52 2 4 0 50 407.33 6 ↓

Analogs

35016761
35016761
35016755
35016755
35016757
35016757

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Popular Name: [(1R)-2-(2-bromo-3-thienyl)-1-methyl-ethyl] [(1R)-2-(2-bromo-3-thienyl)-1-me…

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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) 3.18 8.18 -33.93 1 4 -1 57 406.322 5 ↓
Mid Mid (pH 6-8) 3.93 9.25 -10.87 2 4 0 50 407.33 6 ↓

Analogs

35016755
35016755
35016757
35016757
35016759
35016759

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Popular Name: [(1R)-2-(2-bromo-3-thienyl)-1-methyl-ethyl] [(1R)-2-(2-bromo-3-thienyl)-1-me…

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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) 3.18 8.01 -33.57 1 4 -1 57 406.322 5 ↓
Mid Mid (pH 6-8) 3.93 9.08 -10.24 2 4 0 50 407.33 6 ↓

Analogs

35016765
35016765

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Popular Name: 2-(5-nitro-3-thienyl)ethyl 2-(5-nitro-3-thienyl)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) 1.96 7.76 -37.12 1 7 -1 103 358.396 6 ↓
Mid Mid (pH 6-8) 2.71 8.86 -17.1 2 7 0 96 359.404 7 ↓

Analogs

35016763
35016763

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Popular Name: 2-(5-nitro-3-thienyl)ethyl 2-(5-nitro-3-thienyl)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) 1.96 7.76 -37.47 1 7 -1 103 358.396 6 ↓
Mid Mid (pH 6-8) 2.71 8.86 -17.33 2 7 0 96 359.404 7 ↓

Analogs

35016774
35016774

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Popular Name: 3-phenylpropyl 3-phenylpropyl

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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 8.67 -33.01 1 4 -1 57 321.397 6 ↓
Mid Mid (pH 6-8) 3.56 9.76 -10.48 2 4 0 50 322.405 7 ↓

Analogs

35016771
35016771

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Popular Name: 3-phenylpropyl 3-phenylpropyl

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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 8.67 -33.01 1 4 -1 57 321.397 6 ↓
Mid Mid (pH 6-8) 3.56 9.76 -10.46 2 4 0 50 322.405 7 ↓

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

35016786
35016786

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Popular Name: (4-chlorophenyl)methyl (4-chlorophenyl)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) 2.76 7.63 -31.81 1 4 -1 57 327.788 4 ↓
Mid Mid (pH 6-8) 3.51 8.72 -10.55 2 4 0 50 328.796 5 ↓

Analogs

35016784
35016784

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Popular Name: (4-chlorophenyl)methyl (4-chlorophenyl)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) 2.76 7.63 -31.81 1 4 -1 57 327.788 4 ↓
Mid Mid (pH 6-8) 3.51 8.72 -10.55 2 4 0 50 328.796 5 ↓

Analogs

35016795
35016795

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Popular Name: (5-chloro-2-methoxy-phenyl)methyl (5-chloro-2-methoxy-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) 2.75 6.94 -34.83 1 5 -1 66 357.814 5 ↓
Mid Mid (pH 6-8) 3.50 8.03 -11.01 2 5 0 60 358.822 6 ↓

Analogs

35016793
35016793

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Popular Name: (5-chloro-2-methoxy-phenyl)methyl (5-chloro-2-methoxy-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) 2.75 6.94 -34.85 1 5 -1 66 357.814 5 ↓
Mid Mid (pH 6-8) 3.50 8.04 -11.03 2 5 0 60 358.822 6 ↓

Analogs

35016809
35016809

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Popular Name: 2-(4-methoxy-3-thienyl)ethyl 2-(4-methoxy-3-thienyl)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) 1.86 6.18 -35.2 1 5 -1 66 343.425 6 ↓
Mid Mid (pH 6-8) 2.62 7.28 -11.84 2 5 0 60 344.433 7 ↓

Analogs

35016807
35016807

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Popular Name: 2-(4-methoxy-3-thienyl)ethyl 2-(4-methoxy-3-thienyl)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) 1.86 6.18 -34.9 1 5 -1 66 343.425 6 ↓
Mid Mid (pH 6-8) 2.62 7.28 -11.68 2 5 0 60 344.433 7 ↓

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

35016817
35016817

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Popular Name: 3-(4-methoxyphenyl)propyl 3-(4-methoxyphenyl)propyl

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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) 2.87 7.97 -34.39 1 5 -1 66 351.423 7 ↓
Mid Mid (pH 6-8) 3.62 9.06 -12.29 2 5 0 60 352.431 8 ↓

Analogs

35016815
35016815

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Popular Name: 3-(4-methoxyphenyl)propyl 3-(4-methoxyphenyl)propyl

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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) 2.87 7.97 -34.35 1 5 -1 66 351.423 7 ↓
Mid Mid (pH 6-8) 3.62 9.06 -12.28 2 5 0 60 352.431 8 ↓

Parameters Provided:

ring.id = 14729
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 = 14729 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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