UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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

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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: (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: 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: (2,4-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: (2,5-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-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: (2-acetylphenyl)carbamoylmethyl (2-acetylphenyl)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) 3.40 1.86 -18.68 1 7 0 89 397.818 7 ↓

Analogs

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Popular Name: (2-ethyl-6-methyl-phenyl)carbamoylmethyl (2-ethyl-6-methyl-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) 3.88 2.05 -16.57 1 6 0 72 397.862 7 ↓

Analogs

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Popular Name: 1-[(2-fluorophenyl)carbamoyl]ethyl 1-[(2-fluorophenyl)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) 4.03 2.12 -15.98 1 6 0 72 387.798 6 ↓

Analogs

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Popular Name: 1-[(2-fluorophenyl)carbamoyl]ethyl 1-[(2-fluorophenyl)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) 4.03 2.07 -15.56 1 6 0 72 387.798 6 ↓

Analogs

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Popular Name: 1-[(3-cyanophenyl)carbamoyl]ethyl 1-[(3-cyanophenyl)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) 3.65 2.67 -22.98 1 7 0 96 394.818 6 ↓

Analogs

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Popular Name: 1-[(3-cyanophenyl)carbamoyl]ethyl 1-[(3-cyanophenyl)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) 3.65 2.67 -22.17 1 7 0 96 394.818 6 ↓

Analogs

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Popular Name: 1-[(2-methoxyphenyl)carbamoyl]ethyl 1-[(2-methoxyphenyl)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) 3.92 10.25 -17.05 1 7 0 82 399.834 7 ↓

Analogs

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Popular Name: 1-(phenylcarbamoyl)ethyl 1-(phenylcarbamoyl)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) 3.92 1.34 -17.88 1 6 0 72 369.808 6 ↓

Analogs

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Popular Name: 1-(phenylcarbamoyl)ethyl 1-(phenylcarbamoyl)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) 3.92 1.26 -17.21 1 6 0 72 369.808 6 ↓

Analogs

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Popular Name: 1-(methyl-phenyl-carbamoyl)ethyl 1-(methyl-phenyl-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) 4.16 12.07 -17.52 0 6 0 64 383.835 6 ↓

Analogs

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Popular Name: 1-[(2-cyanophenyl)carbamoyl]ethyl 1-[(2-cyanophenyl)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) 3.62 2.81 -16.51 1 7 0 96 394.818 6 ↓

Analogs

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Popular Name: 1-[(2-cyanophenyl)carbamoyl]ethyl 1-[(2-cyanophenyl)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) 3.62 2.77 -16.69 1 7 0 96 394.818 6 ↓

Analogs

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Popular Name: 1-[(4-carbamoylphenyl)carbamoyl]ethyl 1-[(4-carbamoylphenyl)carbamoyl]…

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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 -1.37 -21.6 3 8 0 115 412.833 7 ↓

Analogs

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Popular Name: 1-[(4-carbamoylphenyl)carbamoyl]ethyl 1-[(4-carbamoylphenyl)carbamoyl]…

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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 -1.41 -21.37 3 8 0 115 412.833 7 ↓

Analogs

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Popular Name: 1-[(4-chlorophenyl)carbamoyl]ethyl 1-[(4-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) 4.59 11.36 -17.41 1 6 0 73 404.253 6 ↓

Analogs

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Popular Name: 1-[(2-nitrophenyl)carbamoyl]ethyl 1-[(2-nitrophenyl)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) 3.83 11.92 -17.22 1 9 0 119 414.805 7 ↓

Analogs

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Popular Name: 1-[(2,4,6-trimethylphenyl)carbamoyl]ethyl 1-[(2,4,6-trimethylphenyl)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) 4.18 2.46 -16.85 1 6 0 72 411.889 6 ↓

Analogs

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Popular Name: 1-[(2,4,6-trimethylphenyl)carbamoyl]ethyl 1-[(2,4,6-trimethylphenyl)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) 4.18 2.45 -17.16 1 6 0 72 411.889 6 ↓

Analogs

5361065
5361065

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Popular Name: (isopropyl-phenyl-carbamoyl)methyl (isopropyl-phenyl-carbamoyl)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) 4.47 2.77 -17.1 0 6 0 63 397.862 7 ↓

Analogs

5361065
5361065

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Popular Name: (methyl-phenyl-carbamoyl)methyl (methyl-phenyl-carbamoyl)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) 3.80 2.64 -18.05 0 6 0 63 369.808 6 ↓

Analogs

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Popular Name: (3-chloro-4-fluoro-phenyl)carbamoylmethyl (3-chloro-4-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 10.74 -19.85 1 6 0 73 408.216 6 ↓

Analogs

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Popular Name: (3-acetylphenyl)carbamoylmethyl (3-acetylphenyl)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) 3.43 10.6 -26.87 1 7 0 90 397.818 7 ↓

Analogs

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Popular Name: (3-chloro-2-methyl-phenyl)carbamoylmethyl (3-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) 4.58 1.38 -16.22 1 6 0 72 404.253 6 ↓

Analogs

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Popular Name: (2,3-dimethylphenyl)carbamoylmethyl (2,3-dimethylphenyl)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) 4.36 1.76 -17.59 1 6 0 72 383.835 6 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)carbamoylmethyl (3,4-dimethylphenyl)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) 4.38 1.6 -17.72 1 6 0 72 383.835 6 ↓

Analogs

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Popular Name: (3-methoxyphenyl)carbamoylmethyl (3-methoxyphenyl)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) 3.59 1.01 -20.9 1 7 0 81 385.807 7 ↓

Analogs

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Popular Name: m-tolylcarbamoylmethyl m-tolylcarbamoylmethyl

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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) 3.98 10.85 -17.58 1 6 0 73 369.808 6 ↓

Analogs

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Popular Name: (2,6-dimethylphenyl)carbamoylmethyl (2,6-dimethylphenyl)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) 3.42 1.83 -17.03 1 6 0 72 383.835 6 ↓

Analogs

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Popular Name: (2,5-dimethoxyphenyl)carbamoylmethyl (2,5-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 -19.82 1 8 0 91 415.833 8 ↓

Analogs

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Popular Name: (4-tert-butylphenyl)carbamoylmethyl (4-tert-butylphenyl)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) 5.26 12.5 -17.39 1 6 0 73 411.889 7 ↓

Analogs

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Popular Name: (2-chlorophenyl)carbamoylmethyl (2-chlorophenyl)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) 4.18 1.02 -15.55 1 6 0 72 390.226 6 ↓

Analogs

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Popular Name: (2-cyanoethyl-phenyl-carbamoyl)methyl (2-cyanoethyl-phenyl-carbamoyl)m…

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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) 3.26 4 -20.93 0 7 0 87 408.845 8 ↓

Analogs

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Popular Name: o-tolylcarbamoylmethyl o-tolylcarbamoylmethyl

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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) 3.95 1.53 -17.47 1 6 0 72 369.808 6 ↓

Analogs

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Popular Name: (3-chloro-4-methyl-phenyl)carbamoylmethyl (3-chloro-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) 4.61 11.28 -16.26 1 6 0 73 404.253 6 ↓

Parameters Provided:

ring.id = 1372
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 = 1372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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