UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,N-diethyl-5-[(2-phenoxyacetyl)amino]-2-piperidino-benzamide N,N-diethyl-5-[(2-phenoxyacetyl)…

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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) 3.46 -0.57 -18.31 1 6 0 61 409.53 8 ↓

Analogs

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Popular Name: 3-[2-[2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]phenyl]propanoic 3-[2-[2-oxo-2-[[4-(1-piperidyl)p…

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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) 3.70 9.52 -67.28 1 6 -1 82 381.452 8 ↓

Analogs

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Popular Name: 2,3,5-trichloro-6-[2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 2,3,5-trichloro-6-[2-oxo-2-[[4-(…

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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 9.53 -56.66 1 6 -1 82 456.733 6 ↓

Analogs

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Popular Name: 2-[4-(diethylsulfamoyl)-2-nitro-phenoxy]-N-[4-(1-piperidyl)phenyl]acetamide 2-[4-(diethylsulfamoyl)-2-nitro-…

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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) 3.76 9.17 -29.46 1 10 0 125 490.582 10 ↓

Analogs

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Popular Name: 2-[(1R)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 2-[(1R)-1-methyl-2-oxo-2-[[4-(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) 4.12 8.96 -75.96 1 6 -1 82 367.425 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 2-[(1S)-1-methyl-2-oxo-2-[[4-(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) 4.12 8.99 -75.96 1 6 -1 82 367.425 6 ↓

Analogs

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Popular Name: 2-[2-[[4-(4-methyl-1-piperidyl)phenyl]amino]-2-oxo-ethoxy]benzoic 2-[2-[[4-(4-methyl-1-piperidyl)p…

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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) 3.99 8.98 -75.03 1 6 -1 82 367.425 6 ↓

Analogs

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Popular Name: 4-[2-[[4-(4-methyl-1-piperidyl)phenyl]amino]-2-oxo-ethoxy]benzoic 4-[2-[[4-(4-methyl-1-piperidyl)p…

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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) 3.96 8.49 -57.19 1 6 -1 82 367.425 6 ↓

Analogs

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Popular Name: 4-[(1R)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 4-[(1R)-1-methyl-2-oxo-2-[[4-(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) 4.08 8.48 -56.23 1 6 -1 82 367.425 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 4-[(1S)-1-methyl-2-oxo-2-[[4-(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) 4.08 8.52 -57.49 1 6 -1 82 367.425 6 ↓

Analogs

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Popular Name: 3-[(1R)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 3-[(1R)-1-methyl-2-oxo-2-[[4-(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) 4.06 8.47 -64.45 1 6 -1 82 367.425 6 ↓

Analogs

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Popular Name: 3-[(1S)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 3-[(1S)-1-methyl-2-oxo-2-[[4-(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) 4.06 8.48 -64.95 1 6 -1 82 367.425 6 ↓

Analogs

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Popular Name: 3-[2-[[4-(4-methyl-1-piperidyl)phenyl]amino]-2-oxo-ethoxy]benzoic 3-[2-[[4-(4-methyl-1-piperidyl)p…

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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) 3.94 8.48 -65.32 1 6 -1 82 367.425 6 ↓

Analogs

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Popular Name: 3-methoxy-4-[2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 3-methoxy-4-[2-oxo-2-[[4-(1-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) 3.31 7.64 -58.29 1 7 -1 91 383.424 7 ↓

Analogs

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Popular Name: 3-methoxy-4-[(1S)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 3-methoxy-4-[(1S)-1-methyl-2-oxo…

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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) 3.67 8.24 -58.19 1 7 -1 91 397.451 7 ↓

Analogs

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Popular Name: 3-methoxy-4-[(1R)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 3-methoxy-4-[(1R)-1-methyl-2-oxo…

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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) 3.67 8.23 -57.5 1 7 -1 91 397.451 7 ↓

Analogs

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Popular Name: 3-methoxy-4-[2-[[4-(4-methyl-1-piperidyl)phenyl]amino]-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-[[4-(4-methyl-1-p…

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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) 3.55 8.24 -58.25 1 7 -1 91 397.451 7 ↓

Analogs

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Popular Name: 2-[4-[2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]phenyl]acetic 2-[4-[2-oxo-2-[[4-(1-piperidyl)p…

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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) 3.23 8.69 -55.08 1 6 -1 82 367.425 7 ↓

Analogs

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Popular Name: 2-[4-[(1R)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]phenyl]acetic 2-[4-[(1R)-1-methyl-2-oxo-2-[[4-…

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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 9.27 -54.82 1 6 -1 82 381.452 7 ↓

Analogs

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Popular Name: 2-[4-[(1S)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]phenyl]acetic 2-[4-[(1S)-1-methyl-2-oxo-2-[[4-…

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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 9.31 -56.05 1 6 -1 82 381.452 7 ↓

Analogs

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Popular Name: 2-[4-[2-[[4-(4-methyl-1-piperidyl)phenyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[4-(4-methyl-1-piperidy…

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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) 3.47 9.28 -54.97 1 6 -1 82 381.452 7 ↓

Analogs

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Popular Name: 4-[2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzene-1,3-dicarboxylic 4-[2-oxo-2-[[4-(1-piperidyl)phen…

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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) 3.64 8.01 -132.46 1 8 -2 122 396.399 7 ↓

Analogs

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Popular Name: 4-[(1R)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzene-1,3-dicarboxylic 4-[(1R)-1-methyl-2-oxo-2-[[4-(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) 4.00 8.59 -132.67 1 8 -2 122 410.426 7 ↓

Analogs

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Popular Name: 4-[(1S)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzene-1,3-dicarboxylic 4-[(1S)-1-methyl-2-oxo-2-[[4-(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) 4.00 8.61 -133.6 1 8 -2 122 410.426 7 ↓

Analogs

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Popular Name: 4-[2-[[4-(4-methyl-1-piperidyl)phenyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[4-(4-methyl-1-piperidyl)p…

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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 8.61 -132.43 1 8 -2 122 410.426 7 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 3,5-dichloro-4-[2-oxo-2-[[4-(1-p…

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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) 4.93 9.09 -47.64 1 6 -1 82 422.288 6 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[(1R)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 3,5-dichloro-4-[(1R)-1-methyl-2-…

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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) 5.29 9.58 -47.75 1 6 -1 82 436.315 6 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[(1S)-1-methyl-2-oxo-2-[[4-(1-piperidyl)phenyl]amino]ethoxy]benzoic 3,5-dichloro-4-[(1S)-1-methyl-2-…

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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) 5.29 9.6 -48.16 1 6 -1 82 436.315 6 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[2-[[4-(4-methyl-1-piperidyl)phenyl]amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[[4-(4-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) 5.17 9.68 -47.88 1 6 -1 82 436.315 6 ↓

Analogs

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Popular Name: 2-(4-isopropyl-3-methyl-phenoxy)-N-(4-piperidinophenyl)acetamide 2-(4-isopropyl-3-methyl-phenoxy)…

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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) 5.22 -0.59 -12.53 1 4 0 41 366.505 6 ↓

Analogs

5198200
5198200

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Popular Name: 2-[1-[[4-(1-piperidyl)phenyl]carbamoyl]ethoxy]benzamide 2-[1-[[4-(1-piperidyl)phenyl]car…

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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) 3.49 -3.44 -23.6 3 6 0 84 367.449 6 ↓

Analogs

5198198
5198198

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Popular Name: 2-[1-[[4-(1-piperidyl)phenyl]carbamoyl]ethoxy]benzamide 2-[1-[[4-(1-piperidyl)phenyl]car…

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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) 3.49 -3.52 -23.7 3 6 0 84 367.449 6 ↓

Analogs

5198521
5198521

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Popular Name: 2-(2-methoxy-4-methyl-phenoxy)-N-[4-(1-piperidyl)phenyl]-propanamide 2-(2-methoxy-4-methyl-phenoxy)-N…

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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) 4.21 -0.74 -16.04 1 5 0 50 368.477 6 ↓

Analogs

5198519
5198519

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Popular Name: 2-(2-methoxy-4-methyl-phenoxy)-N-[4-(1-piperidyl)phenyl]-propanamide 2-(2-methoxy-4-methyl-phenoxy)-N…

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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) 4.21 -0.82 -15.97 1 5 0 50 368.477 6 ↓

Analogs

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Popular Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-[4-(1-piperidyl)phenyl]-acetamide 2-[4-bromo-2-(hydroxymethyl)phen…

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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 -4.75 -13.88 2 5 0 61 419.319 6 ↓

Analogs

6290713
6290713
7827499
7827499
7827503
7827503

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Popular Name: 2-(2-methoxy-5-nitro-phenoxy)-N-[4-(1-piperidyl)phenyl]-propanamide 2-(2-methoxy-5-nitro-phenoxy)-N-…

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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) 3.72 -0.59 -15.44 1 8 0 96 399.447 7 ↓

Analogs

6290713
6290713
7827499
7827499
7827503
7827503

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Popular Name: 2-(2-methoxy-5-nitro-phenoxy)-N-[4-(1-piperidyl)phenyl]-propanamide 2-(2-methoxy-5-nitro-phenoxy)-N-…

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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) 3.72 -0.62 -15.21 1 8 0 96 399.447 7 ↓

Analogs

5199104
5199104

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Popular Name: 2-(4-methylphenoxy)-N-[4-(1-piperidyl)phenyl]-propanamide 2-(4-methylphenoxy)-N-[4-(1-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) 4.62 -0.99 -12.49 1 4 0 41 338.451 5 ↓

Analogs

5199103
5199103

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Popular Name: 2-(4-methylphenoxy)-N-[4-(1-piperidyl)phenyl]-propanamide 2-(4-methylphenoxy)-N-[4-(1-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) 4.62 -1.07 -12.36 1 4 0 41 338.451 5 ↓

Analogs

5643654
5643654
5643657
5643657
6249000
6249000
6249002
6249002
49824194
49824194

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Popular Name: 2-(3-formylphenoxy)-N-[4-(1-piperidyl)phenyl]-propanamide 2-(3-formylphenoxy)-N-[4-(1-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) 3.94 9.73 -15.13 1 5 0 59 352.434 6 ↓
Mid Mid (pH 6-8) 3.94 10.34 -42.83 2 5 1 60 353.442 6 ↓

Analogs

5643654
5643654
5643657
5643657
6249000
6249000
6249002
6249002
49824194
49824194

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Popular Name: 2-(3-formylphenoxy)-N-[4-(1-piperidyl)phenyl]-propanamide 2-(3-formylphenoxy)-N-[4-(1-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) 3.94 9.74 -15.12 1 5 0 59 352.434 6 ↓
Mid Mid (pH 6-8) 3.94 10.3 -42.71 2 5 1 60 353.442 6 ↓

Analogs

21576419
21576419

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Popular Name: N-(3-Fluoro-4-piperidin-1-yl-phenyl)-2-phenoxy-acetamide N-(3-Fluoro-4-piperidin-1-yl-phe…

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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) 3.90 8.58 -15.96 1 4 0 42 328.387 5 ↓

Analogs

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Popular Name: (2S)-2-(2-bromo-4-fluoro-phenoxy)-N-[4-(1-piperidyl)phenyl]propanamide (2S)-2-(2-bromo-4-fluoro-phenoxy…

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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) 5.07 10.72 -14.11 1 4 0 42 421.31 5 ↓
Mid Mid (pH 6-8) 5.07 11.31 -41.2 2 4 1 43 422.318 5 ↓

Analogs

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Popular Name: (2R)-2-(2-bromo-4-fluoro-phenoxy)-N-[4-(1-piperidyl)phenyl]propanamide (2R)-2-(2-bromo-4-fluoro-phenoxy…

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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) 5.07 10.72 -14.23 1 4 0 42 421.31 5 ↓
Mid Mid (pH 6-8) 5.07 11.29 -41.03 2 4 1 43 422.318 5 ↓

Analogs

1157790
1157790

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Popular Name: 2-(2,3,4,5,6-pentachlorophenoxy)-N-[4-(1-piperidyl)phenyl]acetamide 2-(2,3,4,5,6-pentachlorophenoxy)…

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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) 6.91 11.94 -9.05 1 4 0 42 482.622 5 ↓

Parameters Provided:

ring.id = 867
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 = 867 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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