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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-iodo-2-[[(3S)-1-methyl-3-piperidyl]carbamoylamino]benzoic 5-iodo-2-[[(3S)-1-methyl-3-piper…

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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) 2.97 7.43 -63.6 3 6 0 86 403.22 3 ↓

Analogs

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Popular Name: 5-iodo-2-[[(3R)-1-methyl-3-piperidyl]carbamoylamino]benzoic 5-iodo-2-[[(3R)-1-methyl-3-piper…

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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) 2.97 7.35 -63.78 3 6 0 86 403.22 3 ↓

Analogs

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Popular Name: 3-bromo-2-[[(3S)-1-methyl-3-piperidyl]carbamoylamino]benzoic 3-bromo-2-[[(3S)-1-methyl-3-pipe…

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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) 2.67 6.88 -64.7 3 6 0 86 356.22 3 ↓

Analogs

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Popular Name: 3-bromo-2-[[(3R)-1-methyl-3-piperidyl]carbamoylamino]benzoic 3-bromo-2-[[(3R)-1-methyl-3-pipe…

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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) 2.67 6.87 -67.09 3 6 0 86 356.22 3 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(3S)-1-methyl-3-piperidyl]carbamoylamino]benzoic 3-fluoro-4-[[(3S)-1-methyl-3-pip…

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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) 1.87 6.05 -77.13 3 6 0 86 295.314 3 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(3R)-1-methyl-3-piperidyl]carbamoylamino]benzoic 3-fluoro-4-[[(3R)-1-methyl-3-pip…

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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) 1.87 6.05 -77.39 3 6 0 86 295.314 3 ↓

Analogs

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Popular Name: N-[4-[[(3R)-1-ethyl-3-piperidyl]carbamoylamino]phenyl]propanamide N-[4-[[(3R)-1-ethyl-3-piperidyl]…

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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 5.77 -49.58 4 6 1 75 319.429 5 ↓

Analogs

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Popular Name: N-[4-[[(3S)-1-ethyl-3-piperidyl]carbamoylamino]phenyl]propanamide N-[4-[[(3S)-1-ethyl-3-piperidyl]…

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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 5.77 -49.09 4 6 1 75 319.429 5 ↓

Analogs

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Popular Name: 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(2-methoxyethyl)-3-piperidyl]urea 1-[4-(difluoromethoxy)phenyl]-3-…

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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 4.78 -46.66 3 6 1 64 344.382 7 ↓
Hi High (pH 8-9.5) 2.46 2.52 -14.94 2 6 0 63 343.374 7 ↓

Analogs

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Popular Name: 1-[4-(difluoromethoxy)phenyl]-3-[(3R)-1-(2-methoxyethyl)-3-piperidyl]urea 1-[4-(difluoromethoxy)phenyl]-3-…

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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 4.8 -46.9 3 6 1 64 344.382 7 ↓
Hi High (pH 8-9.5) 2.46 2.49 -14.85 2 6 0 63 343.374 7 ↓

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) 2.38 5.66 -19.51 2 7 0 80 349.431 6 ↓

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) 2.38 5.66 -19.79 2 7 0 80 349.431 6 ↓

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) 0.95 3.39 -24.11 3 8 0 100 348.403 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) 0.95 3.39 -23.55 3 8 0 100 348.403 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) 2.33 3.8 -22.17 2 7 0 80 343.33 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) 2.33 3.83 -22.03 2 7 0 80 343.33 5 ↓

Analogs

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Popular Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3R)-1-methylsulfonyl-3-piperidyl]urea 1-(2-ethyl-6-methyl-phenyl)-3-[(…

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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) 1.57 4.29 -14.84 2 6 0 79 339.461 4 ↓

Analogs

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Popular Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3S)-1-methylsulfonyl-3-piperidyl]urea 1-(2-ethyl-6-methyl-phenyl)-3-[(…

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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) 1.57 4.32 -20.42 2 6 0 79 339.461 4 ↓

Analogs

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Popular Name: 1-(4-chloro-2-methyl-phenyl)-3-[(3R)-1-methylsulfonyl-3-piperidyl]urea 1-(4-chloro-2-methyl-phenyl)-3-[…

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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 3.4 -14.7 2 6 0 79 345.852 3 ↓

Analogs

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Popular Name: 1-(4-chloro-2-methyl-phenyl)-3-[(3S)-1-methylsulfonyl-3-piperidyl]urea 1-(4-chloro-2-methyl-phenyl)-3-[…

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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 3.43 -19.97 2 6 0 79 345.852 3 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3-[(3R)-1-methylsulfonyl-3-piperidyl]urea 1-(4-ethoxyphenyl)-3-[(3R)-1-met…

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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) 1.67 2.21 -15.77 2 7 0 88 341.433 5 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3-[(3S)-1-methylsulfonyl-3-piperidyl]urea 1-(4-ethoxyphenyl)-3-[(3S)-1-met…

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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) 1.67 2.21 -21.27 2 7 0 88 341.433 5 ↓

Analogs

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Popular Name: 1-[(3R)-1-methylsulfonyl-3-piperidyl]-3-(2,4,6-trimethylphenyl)urea 1-[(3R)-1-methylsulfonyl-3-piper…

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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) 1.50 4.06 -14.72 2 6 0 79 339.461 3 ↓

Analogs

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Popular Name: 1-[(3S)-1-methylsulfonyl-3-piperidyl]-3-(2,4,6-trimethylphenyl)urea 1-[(3S)-1-methylsulfonyl-3-piper…

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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) 1.50 4.14 -20.23 2 6 0 79 339.461 3 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[(3R)-1-methylsulfonyl-3-piperidyl]urea 1-(3-chloro-2-methyl-phenyl)-3-[…

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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) 2.27 3.27 -13.99 2 6 0 79 345.852 3 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[(3S)-1-methylsulfonyl-3-piperidyl]urea 1-(3-chloro-2-methyl-phenyl)-3-[…

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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) 2.27 3.3 -18.99 2 6 0 79 345.852 3 ↓

Analogs

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Popular Name: 1-(2-methylsulfanylphenyl)-3-[(3R)-1-methylsulfonyl-3-piperidyl]urea 1-(2-methylsulfanylphenyl)-3-[(3…

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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) 1.62 3.15 -14.52 2 6 0 79 343.474 4 ↓

Analogs

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Popular Name: 1-(2-methylsulfanylphenyl)-3-[(3S)-1-methylsulfonyl-3-piperidyl]urea 1-(2-methylsulfanylphenyl)-3-[(3…

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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) 1.62 3.14 -19.49 2 6 0 79 343.474 4 ↓

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-3-[(3R)-1-methylsulfonyl-3-piperidyl]urea 1-(2,4-dimethylphenyl)-3-[(3R)-1…

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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) 2.06 3.55 -15.15 2 6 0 79 325.434 3 ↓

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-3-[(3S)-1-methylsulfonyl-3-piperidyl]urea 1-(2,4-dimethylphenyl)-3-[(3S)-1…

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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) 2.06 3.59 -20.72 2 6 0 79 325.434 3 ↓

Analogs

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Popular Name: N-[3-[[(3R)-1-ethyl-3-piperidyl]carbamoylamino]phenyl]propanamide N-[3-[[(3R)-1-ethyl-3-piperidyl]…

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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) 2.27 5.75 -44.8 4 6 1 75 319.429 5 ↓

Analogs

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Popular Name: N-[3-[[(3S)-1-ethyl-3-piperidyl]carbamoylamino]phenyl]propanamide N-[3-[[(3S)-1-ethyl-3-piperidyl]…

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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) 2.27 5.78 -45.52 4 6 1 75 319.429 5 ↓

Analogs

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Popular Name: N-tert-butyl-4-[[(3S)-1-ethyl-3-piperidyl]carbamoylamino]benzamide N-tert-butyl-4-[[(3S)-1-ethyl-3-…

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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) 2.62 6.5 -49.49 4 6 1 75 347.483 5 ↓

Analogs

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Popular Name: N-tert-butyl-4-[[(3R)-1-ethyl-3-piperidyl]carbamoylamino]benzamide N-tert-butyl-4-[[(3R)-1-ethyl-3-…

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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) 2.62 6.5 -49.65 4 6 1 75 347.483 5 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(3R)-1-methylsulfonyl-3-piperidyl]urea 1-(3-chloro-4-methyl-phenyl)-3-[…

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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 3.11 -16.28 2 6 0 79 345.852 3 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(3S)-1-methylsulfonyl-3-piperidyl]urea 1-(3-chloro-4-methyl-phenyl)-3-[…

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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 3.1 -19.02 2 6 0 79 345.852 3 ↓

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-3-[(3R)-1-methylsulfonyl-3-piperidyl]urea 1-(2,5-dimethylphenyl)-3-[(3R)-1…

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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) 2.06 3.5 -15.02 2 6 0 79 325.434 3 ↓

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-3-[(3S)-1-methylsulfonyl-3-piperidyl]urea 1-(2,5-dimethylphenyl)-3-[(3S)-1…

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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) 2.06 3.53 -20.77 2 6 0 79 325.434 3 ↓

Analogs

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Popular Name: 1-(3-methylsulfanylphenyl)-3-[(3R)-1-methylsulfonyl-3-piperidyl]urea 1-(3-methylsulfanylphenyl)-3-[(3…

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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) 1.65 2.98 -17.55 2 6 0 79 343.474 4 ↓

Analogs

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Popular Name: 1-(3-methylsulfanylphenyl)-3-[(3S)-1-methylsulfonyl-3-piperidyl]urea 1-(3-methylsulfanylphenyl)-3-[(3…

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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) 1.65 3.02 -24.05 2 6 0 79 343.474 4 ↓

Analogs

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Popular Name: N-[5-[[(3S)-1-ethyl-3-piperidyl]carbamoylamino]-2,4-difluoro-phenyl]acetamide N-[5-[[(3S)-1-ethyl-3-piperidyl]…

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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) 1.64 5.19 -44.93 4 6 1 75 341.382 4 ↓

Analogs

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Popular Name: N-[5-[[(3R)-1-ethyl-3-piperidyl]carbamoylamino]-2,4-difluoro-phenyl]acetamide N-[5-[[(3R)-1-ethyl-3-piperidyl]…

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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) 1.64 5.17 -44.63 4 6 1 75 341.382 4 ↓

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) 2.23 5.11 -17.67 2 6 0 71 327.331 4 ↓

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) 2.23 5.13 -17.59 2 6 0 71 327.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.37 7.35 -17.19 2 6 0 71 333.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.37 7.35 -17.25 2 6 0 71 333.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.45 4.05 -21.15 2 8 0 104 332.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.45 4.04 -21.16 2 8 0 104 332.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.83 4.98 -20.67 2 8 0 104 346.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.83 4.97 -20.75 2 8 0 104 346.387 5 ↓

Parameters Provided:

ring.id = 163648
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 = 163648 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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