UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

396186
396186

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Popular Name: Benzyl dl-mandelate Benzyl dl-mandelate

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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 7.58 -6.66 1 3 0 47 242.274 5 ↓

Analogs

5781019
5781019

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Popular Name: (methylcarbamoylcarbamoyl-phenyl-methyl) (methylcarbamoylcarbamoyl-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) 2.43 0.57 -21.44 2 6 0 84 344.342 6 ↓

Analogs

5781018
5781018

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Popular Name: (methylcarbamoylcarbamoyl-phenyl-methyl) (methylcarbamoylcarbamoyl-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) 2.43 0.54 -21.54 2 6 0 84 344.342 6 ↓

Analogs

5781021
5781021

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Popular Name: (ethylcarbamoylcarbamoyl-phenyl-methyl) (ethylcarbamoylcarbamoyl-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) 2.81 0.66 -20.8 2 6 0 84 358.369 7 ↓

Analogs

5781020
5781020

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Popular Name: (ethylcarbamoylcarbamoyl-phenyl-methyl) (ethylcarbamoylcarbamoyl-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) 2.81 0.64 -20.84 2 6 0 84 358.369 7 ↓

Analogs

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Popular Name: (3-methoxyphenyl)methyl (3-methoxyphenyl)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) 0.92 6.3 -7.7 2 4 0 62 271.316 6 ↓
Mid Mid (pH 6-8) 0.92 6.63 -45.87 3 4 1 63 272.324 6 ↓

Analogs

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Popular Name: (3-methoxyphenyl)methyl (3-methoxyphenyl)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) 0.92 6.3 -6.93 2 4 0 62 271.316 6 ↓
Mid Mid (pH 6-8) 0.92 6.63 -44.92 3 4 1 63 272.324 6 ↓

Analogs

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Popular Name: (R)-Benzyl 2-amino-2-phenylacetate (R)-Benzyl 2-amino-2-phenylacetate

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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) 0.88 7 -5.68 2 3 0 52 241.29 5 ↓

Analogs

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Popular Name: (3-methoxyphenyl)methyl (3-methoxyphenyl)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) 3.24 6.77 -7.61 2 4 0 62 285.343 6 ↓
Mid Mid (pH 6-8) 3.24 7.05 -44.91 3 4 1 63 286.351 6 ↓

Analogs

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Popular Name: (3-methoxyphenyl)methyl (3-methoxyphenyl)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) 3.24 6.76 -8.09 2 4 0 62 285.343 6 ↓
Mid Mid (pH 6-8) 3.24 7.05 -45.76 3 4 1 63 286.351 6 ↓

Analogs

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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) 3.21 7.46 -6.63 2 3 0 52 255.317 5 ↓
Mid Mid (pH 6-8) 3.21 7.75 -44.21 3 3 1 54 256.325 5 ↓

Analogs

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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) 3.21 7.47 -6.23 2 3 0 52 255.317 5 ↓
Mid Mid (pH 6-8) 3.21 7.75 -44.25 3 3 1 54 256.325 5 ↓

Analogs

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Popular Name: (2-chlorophenyl)methyl (2-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) 3.84 7.95 -6.84 2 3 0 52 289.762 5 ↓
Mid Mid (pH 6-8) 3.84 8.25 -49.72 3 3 1 54 290.77 5 ↓

Analogs

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Popular Name: (2-chlorophenyl)methyl (2-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) 3.84 7.97 -7.19 2 3 0 52 289.762 5 ↓
Mid Mid (pH 6-8) 3.84 8.24 -49.69 3 3 1 54 290.77 5 ↓

Analogs

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Popular Name: [(1S)-1-phenylethyl] [(1S)-1-phenylethyl]

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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) 3.57 8.16 -5.82 2 3 0 52 269.344 5 ↓
Mid Mid (pH 6-8) 3.57 8.42 -46.25 3 3 1 54 270.352 5 ↓

Analogs

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Popular Name: [(1R)-1-phenylethyl] [(1R)-1-phenylethyl]

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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) 3.57 8.15 -5.87 2 3 0 52 269.344 5 ↓
Mid Mid (pH 6-8) 3.57 8.42 -47.16 3 3 1 54 270.352 5 ↓

Analogs

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Popular Name: [(1S)-1-phenylethyl] [(1S)-1-phenylethyl]

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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) 3.57 8.14 -6.18 2 3 0 52 269.344 5 ↓
Mid Mid (pH 6-8) 3.57 8.42 -47.35 3 3 1 54 270.352 5 ↓

Analogs

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Popular Name: [(1R)-1-phenylethyl] [(1R)-1-phenylethyl]

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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) 3.57 8.14 -6.12 2 3 0 52 269.344 5 ↓
Mid Mid (pH 6-8) 3.57 8.42 -46.01 3 3 1 54 270.352 5 ↓

Analogs

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Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)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) 3.27 6.77 -7.25 2 4 0 62 285.343 6 ↓
Mid Mid (pH 6-8) 3.27 7.05 -46.39 3 4 1 63 286.351 6 ↓

Analogs

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Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)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) 3.27 6.76 -7.64 2 4 0 62 285.343 6 ↓
Mid Mid (pH 6-8) 3.27 7.05 -46.19 3 4 1 63 286.351 6 ↓

Analogs

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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) 2.63 7.77 -7.7 2 3 0 52 241.29 5 ↓

Analogs

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Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)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) 2.68 7.07 -8.75 2 4 0 62 271.316 6 ↓

Analogs

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Popular Name: (2,4-difluorophenyl)methyl (2,4-difluorophenyl)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) 2.88 7.91 -8.26 2 3 0 52 277.27 5 ↓

Analogs

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Popular Name: (2-methoxy-5-methyl-phenyl)methyl (2-methoxy-5-methyl-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) 3.06 7.8 -9.67 2 4 0 62 285.343 6 ↓

Analogs

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Popular Name: (2,4-dichlorophenyl)methyl (2,4-dichlorophenyl)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) 3.91 8.78 -7.51 2 3 0 52 310.18 5 ↓

Analogs

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Popular Name: (2-bromophenyl)methyl (2-bromophenyl)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) 3.39 8.37 -8.45 2 3 0 52 320.186 5 ↓

Analogs

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Popular Name: (4-cyano-2-fluoro-phenyl)methyl (4-cyano-2-fluoro-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) 2.47 8.23 -10.71 2 4 0 76 284.29 5 ↓

Analogs

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Popular Name: (5-cyano-2-fluoro-phenyl)methyl (5-cyano-2-fluoro-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) 2.47 8.22 -10.3 2 4 0 76 284.29 5 ↓

Analogs

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Popular Name: (2-bromo-4-fluoro-phenyl)methyl (2-bromo-4-fluoro-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) 3.53 8.44 -7.84 2 3 0 52 338.176 5 ↓

Analogs

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Popular Name: (4-cyanophenyl)methyl (4-cyanophenyl)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) 2.38 8.16 -10.14 2 4 0 76 266.3 5 ↓

Analogs

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Popular Name: (2-cyanophenyl)methyl (2-cyanophenyl)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) 2.33 8.1 -12.26 2 4 0 76 266.3 5 ↓

Analogs

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Popular Name: (2-chloro-4-fluoro-phenyl)methyl (2-chloro-4-fluoro-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) 3.40 8.34 -7.81 2 3 0 52 293.725 5 ↓

Analogs

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Popular Name: (3,4-dichlorophenyl)methyl (3,4-dichlorophenyl)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) 3.91 8.74 -7.8 2 3 0 52 310.18 5 ↓

Analogs

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Popular Name: (3-bromophenyl)methyl (3-bromophenyl)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) 3.41 8.38 -7.68 2 3 0 52 320.186 5 ↓

Analogs

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Popular Name: (3-cyanophenyl)methyl (3-cyanophenyl)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) 2.36 8.15 -10.71 2 4 0 76 266.3 5 ↓

Analogs

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Popular Name: (3-fluorophenyl)methyl (3-fluorophenyl)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) 2.77 7.84 -8.29 2 3 0 52 259.28 5 ↓

Analogs

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Popular Name: p-tolylmethyl p-tolylmethyl

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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) 3.07 8.44 -7.72 2 3 0 52 255.317 5 ↓

Analogs

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Popular Name: (4-fluorophenyl)methyl (4-fluorophenyl)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) 2.79 7.84 -7.85 2 3 0 52 259.28 5 ↓

Analogs

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Popular Name: m-tolylmethyl m-tolylmethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 8.43 -7.7 2 3 0 52 255.317 5 ↓

Analogs

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Popular Name: o-tolylmethyl o-tolylmethyl

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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) 3.03 8.37 -7.63 2 3 0 52 255.317 5 ↓

Analogs

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Popular Name: (4-bromophenyl)methyl (4-bromophenyl)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) 3.44 8.39 -7.28 2 3 0 52 320.186 5 ↓

Analogs

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Popular Name: (3-bromo-4-fluoro-phenyl)methyl (3-bromo-4-fluoro-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) 3.53 8.43 -8.34 2 3 0 52 338.176 5 ↓

Analogs

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Popular Name: (2-bromo-5-fluoro-phenyl)methyl (2-bromo-5-fluoro-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) 3.53 8.44 -7.45 2 3 0 52 338.176 5 ↓

Analogs

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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) 3.30 8.29 -7.3 2 3 0 52 275.735 5 ↓

Analogs

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Popular Name: (5-bromo-2-fluoro-phenyl)methyl (5-bromo-2-fluoro-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) 3.53 8.46 -7.63 2 3 0 52 338.176 5 ↓

Analogs

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Popular Name: (3-chlorophenyl)methyl (3-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) 3.28 8.28 -7.73 2 3 0 52 275.735 5 ↓

Analogs

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Popular Name: (4-carbamoylphenyl)methyl (4-carbamoylphenyl)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) 1.45 4.55 -13.69 4 5 0 95 284.315 6 ↓

Analogs

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Popular Name: (2-carbamoylphenyl)methyl (2-carbamoylphenyl)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) 1.40 4.59 -16.24 4 5 0 95 284.315 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-carbamoylphenyl)methyl (3-carbamoylphenyl)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) 1.42 4.54 -15.1 4 5 0 95 284.315 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-isopropylphenyl)methyl (4-isopropylphenyl)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) 4.14 9.7 -7.33 2 3 0 52 283.371 6 ↓

Parameters Provided:

ring.id = 71
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 = 71 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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