UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13209522
13209522
39220634
39220634

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Popular Name: Miroprofen Miroprofen

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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) 3.20 1.66 -55.07 0 4 -1 57 265.292 3 ↓

Analogs

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Popular Name: (cyanomethyl-phenyl-carbamoyl)methyl (cyanomethyl-phenyl-carbamoyl)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) 3.58 12.67 -23.91 0 7 0 88 394.818 7 ↓

Analogs

8331911
8331911
8331916
8331916

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Popular Name: 1-(4-ethylphenyl)ethylcarbamoylmethyl 1-(4-ethylphenyl)ethylcarbamoylm…

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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) 4.73 12.66 -16.44 1 6 0 73 411.889 8 ↓

Analogs

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Popular Name: (5-chloro-2-fluoro-phenyl)carbamoylmethyl (5-chloro-2-fluoro-phenyl)carbam…

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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) 4.32 1.63 -16.16 1 6 0 72 408.216 6 ↓

Analogs

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Popular Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] [2-(1-ethyl-2,5-dimethyl-pyrrol-…

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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) 3.63 13.38 -16.53 0 6 0 66 385.851 7 ↓

Analogs

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Popular Name: (3-ethylphenyl)carbamoylmethyl (3-ethylphenyl)carbamoylmethyl

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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) 4.44 1.47 -17.17 1 6 0 72 383.835 7 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)ethylcarbamoylmethyl 2-(4-fluorophenyl)ethylcarbamoyl…

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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) 3.82 1.11 -19.63 1 6 0 72 401.825 8 ↓

Analogs

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Popular Name: 1-[(4-acetylphenyl)carbamoyl]ethyl 1-[(4-acetylphenyl)carbamoyl]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) 3.82 11.33 -19.78 1 7 0 90 411.845 7 ↓

Analogs

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Popular Name: 1-[(3-chlorophenyl)carbamoyl]ethyl 1-[(3-chlorophenyl)carbamoyl]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) 4.57 11.36 -19.36 1 6 0 73 404.253 6 ↓

Analogs

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Popular Name: 1-[(3-acetylphenyl)carbamoyl]ethyl 1-[(3-acetylphenyl)carbamoyl]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) 3.79 1.82 -26.29 1 7 0 89 411.845 7 ↓

Analogs

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Popular Name: 1-[(3-acetylphenyl)carbamoyl]ethyl 1-[(3-acetylphenyl)carbamoyl]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) 3.79 1.78 -26.05 1 7 0 89 411.845 7 ↓

Analogs

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Popular Name: 1-[(4-ethylphenyl)carbamoyl]ethyl 1-[(4-ethylphenyl)carbamoyl]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) 4.83 12.3 -17.77 1 6 0 73 397.862 7 ↓

Analogs

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Popular Name: [2-(1-adamantyl)-2-oxo-ethyl] [2-(1-adamantyl)-2-oxo-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) 4.86 13.75 -13.93 0 5 0 61 398.89 6 ↓

Analogs

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Popular Name: benzothiazol-2-ylmethyl benzothiazol-2-ylmethyl

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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) 4.51 0.02 -15.48 0 5 0 56 369.833 5 ↓

Analogs

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Popular Name: (2,4-dimethoxyphenyl)carbamoylmethyl (2,4-dimethoxyphenyl)carbamoylme…

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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) 3.60 1.13 -17.55 1 8 0 91 415.833 8 ↓

Analogs

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Popular Name: (2-methyl-5-nitro-phenyl)carbamoylmethyl (2-methyl-5-nitro-phenyl)carbamo…

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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 2.05 -25.06 1 9 0 118 414.805 7 ↓

Analogs

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

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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) 3.69 1.74 -20.19 1 6 0 72 373.771 6 ↓

Analogs

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Popular Name: (3-acetylaminophenyl)carbamoylmethyl (3-acetylaminophenyl)carbamoylme…

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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 -0.11 -22.51 2 8 0 101 412.833 7 ↓

Analogs

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Popular Name: (2-methyl-6-nitro-phenyl)carbamoylmethyl (2-methyl-6-nitro-phenyl)carbamo…

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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) 3.87 11.99 -19.2 1 9 0 119 414.805 7 ↓

Analogs

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Popular Name: (4-chloro-2-methyl-phenyl)carbamoylmethyl (4-chloro-2-methyl-phenyl)carbam…

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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) 4.61 1.39 -16.94 1 6 0 72 404.253 6 ↓

Analogs

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Popular Name: (2-chloro-3-pyridyl)carbamoylmethyl (2-chloro-3-pyridyl)carbamoylmethyl

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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 0.1 -16.52 1 7 0 85 391.214 6 ↓

Analogs

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Popular Name: (2,5-difluorophenyl)carbamoylmethyl (2,5-difluorophenyl)carbamoylmethyl

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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) 3.81 2.52 -16.91 1 6 0 72 391.761 6 ↓

Analogs

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Popular Name: (3-chlorophenyl)methylcarbamoylmethyl (3-chlorophenyl)methylcarbamoylm…

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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 0.09 -16.34 1 6 0 72 404.253 7 ↓

Analogs

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Popular Name: (3-fluoro-4-methyl-phenyl)carbamoylmethyl (3-fluoro-4-methyl-phenyl)carbam…

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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) 4.09 2.02 -20.43 1 6 0 72 387.798 6 ↓

Analogs

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Popular Name: tetralin-1-ylcarbamoylmethyl tetralin-1-ylcarbamoylmethyl

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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) 3.32 0.21 -17.73 1 6 0 72 409.873 6 ↓

Analogs

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Popular Name: tetralin-1-ylcarbamoylmethyl tetralin-1-ylcarbamoylmethyl

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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) 3.32 0.2 -17.79 1 6 0 72 409.873 6 ↓

Analogs

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Popular Name: [2-oxo-2-(4-propylphenyl)-ethyl] [2-oxo-2-(4-propylphenyl)-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) 5.20 14.1 -15.12 0 5 0 61 382.847 8 ↓

Analogs

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Popular Name: [2-oxo-2-(2,4,6-trimethylphenyl)-ethyl] [2-oxo-2-(2,4,6-trimethylphenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.10 13.78 -15 0 5 0 61 382.847 6 ↓

Analogs

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Popular Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] [2-(4-acetyl-3,5-dimethyl-1H-pyr…

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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 2.26 -19.5 1 7 0 93 399.834 7 ↓

Analogs

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Popular Name: tert-butylcarbamoylcarbamoylmethyl tert-butylcarbamoylcarbamoylmethyl

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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) 2.69 -0.45 -25.2 2 8 0 101 378.816 6 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)ethyl 2-(4-chlorophenoxy)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) 5.02 11.48 -13.24 0 5 0 53 377.227 7 ↓

Analogs

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Popular Name: 2-(4-methylphenoxy)ethyl 2-(4-methylphenoxy)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) 4.79 11.64 -13.68 0 5 0 53 356.809 7 ↓

Analogs

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Popular Name: 2-(3-methylphenoxy)ethyl 2-(3-methylphenoxy)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) 4.76 11.64 -13.9 0 5 0 53 356.809 7 ↓

Analogs

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Popular Name: 2-(2-methylphenoxy)ethyl 2-(2-methylphenoxy)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) 4.74 11.71 -13.59 0 5 0 53 356.809 7 ↓

Analogs

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Popular Name: 2-(4-fluorophenoxy)ethyl 2-(4-fluorophenoxy)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) 4.50 11.03 -13.79 0 5 0 53 360.772 7 ↓

Analogs

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Popular Name: isopropylcarbamoylcarbamoylmethyl isopropylcarbamoylcarbamoylmethyl

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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) 2.18 -0.68 -26.05 2 8 0 101 364.789 6 ↓

Analogs

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Popular Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] [2-(3,4-dimethoxyphenyl)-2-oxo-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) 3.54 2.91 -18.47 0 7 0 79 400.818 8 ↓

Analogs

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Popular Name: benzoylaminocarbamoylmethyl benzoylaminocarbamoylmethyl

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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) 2.65 9.1 -18.29 2 8 0 102 398.806 7 ↓

Analogs

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Popular Name: (2-nitrophenyl)methyl (2-nitrophenyl)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) 4.26 2.54 -16.36 0 7 0 89 357.753 6 ↓

Analogs

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Popular Name: 2-phenoxyethyl 2-phenoxyethyl

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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) 4.34 1.84 -13.71 0 5 0 52 342.782 7 ↓

Analogs

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Popular Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] [2-(4-ethoxyphenyl)-2-oxo-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) 4.33 2.59 -16.06 0 6 0 69 384.819 8 ↓

Analogs

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Popular Name: 2-cyanoethylcarbamoylmethyl 2-cyanoethylcarbamoylmethyl

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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) 1.31 1.24 -24.05 1 7 0 96 332.747 7 ↓

Analogs

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Popular Name: (2-indan-5-yl-1-methyl-2-oxo-ethyl) (2-indan-5-yl-1-methyl-2-oxo-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) 4.68 14.3 -15.47 0 5 0 61 394.858 6 ↓

Analogs

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Popular Name: (2-phenylthiazol-4-yl)methyl (2-phenylthiazol-4-yl)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) 5.43 12.14 -13.49 0 5 0 57 395.871 6 ↓

Analogs

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Popular Name: dimethylcarbamoylmethyl dimethylcarbamoylmethyl

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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) 1.66 1.87 -17.02 0 6 0 63 307.737 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) 4.79 11.91 -11.55 0 4 0 44 326.783 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) 2.74 2.37 -21.39 0 8 0 90 405.838 7 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenoxy)ethyl 2-(4-ethoxyphenoxy)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) 4.77 11.17 -14.4 0 6 0 62 386.835 9 ↓

Analogs

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Popular Name: 1,2-dimethylpropylcarbamoylmethyl 1,2-dimethylpropylcarbamoylmethyl

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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) 3.31 9.68 -16.33 1 6 0 73 349.818 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-dimethylpropylcarbamoylmethyl 1,2-dimethylpropylcarbamoylmethyl

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) 3.31 9.4 -16.14 1 6 0 73 349.818 7 ↓

Parameters Provided:

ring.id = 340
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 = 340 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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