UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3812903
3812903

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Popular Name: Troxipide Troxipide

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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) 0.59 3.07 -54.43 3 6 1 73 295.359 5 ↓

Analogs

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Popular Name: 2-methoxy-5-methyl-N-[(3R)-3-piperidyl]benzamide 2-methoxy-5-methyl-N-[(3R)-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) 1.94 5.12 -49.78 3 4 1 55 249.334 3 ↓

Analogs

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Popular Name: 2-methoxy-5-methyl-N-[(3S)-3-piperidyl]benzamide 2-methoxy-5-methyl-N-[(3S)-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) 1.94 5.12 -49.8 3 4 1 55 249.334 3 ↓

Analogs

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Popular Name: 2-methoxy-N,5-dimethyl-N-[(3R)-3-piperidyl]benzamide 2-methoxy-N,5-dimethyl-N-[(3R)-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) 1.71 5.86 -45.21 2 4 1 46 263.361 3 ↓

Analogs

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Popular Name: 2-methoxy-N,5-dimethyl-N-[(3S)-3-piperidyl]benzamide 2-methoxy-N,5-dimethyl-N-[(3S)-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) 1.71 5.86 -46.63 2 4 1 46 263.361 3 ↓

Analogs

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Popular Name: 2-methoxy-5-methyl-N-[(3R)-3-piperidyl]-N-propyl-benzamide 2-methoxy-5-methyl-N-[(3R)-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) 2.59 7.24 -42.57 2 4 1 46 291.415 5 ↓

Analogs

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Popular Name: 2-methoxy-5-methyl-N-[(3S)-3-piperidyl]-N-propyl-benzamide 2-methoxy-5-methyl-N-[(3S)-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) 2.59 7.24 -40.6 2 4 1 46 291.415 5 ↓

Analogs

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Popular Name: 2-hydroxy-4-methyl-N-[(3R)-3-piperidyl]benzamide 2-hydroxy-4-methyl-N-[(3R)-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 3.03 -46.06 4 4 1 66 235.307 2 ↓
Hi High (pH 8-9.5) 1.87 4.06 -71.99 3 4 0 69 234.299 2 ↓

Analogs

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Popular Name: 2-hydroxy-4-methyl-N-[(3S)-3-piperidyl]benzamide 2-hydroxy-4-methyl-N-[(3S)-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 3.02 -46.08 4 4 1 66 235.307 2 ↓
Hi High (pH 8-9.5) 1.87 4.05 -72.03 3 4 0 69 234.299 2 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[(3S)-1-methyl-3-piperidyl]benzamide 3-(2-aminoethyl)-N-[(3S)-1-methy…

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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) 0.51 4.94 -91.06 5 4 2 61 263.385 4 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[(3R)-1-methyl-3-piperidyl]benzamide 3-(2-aminoethyl)-N-[(3R)-1-methy…

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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) 0.51 4.94 -91.59 5 4 2 61 263.385 4 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[(3S)-1-ethyl-3-piperidyl]benzamide 3-(2-aminoethyl)-N-[(3S)-1-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) 0.89 5.6 -90.13 5 4 2 61 277.412 5 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[(3R)-1-ethyl-3-piperidyl]benzamide 3-(2-aminoethyl)-N-[(3R)-1-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) 0.89 5.6 -90.66 5 4 2 61 277.412 5 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-methyl-N-[(3S)-1-methyl-3-piperidyl]benzamide 3-(2-aminoethyl)-N-methyl-N-[(3S…

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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) 0.28 6.37 -89.15 4 4 2 52 277.412 4 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-methyl-N-[(3R)-1-methyl-3-piperidyl]benzamide 3-(2-aminoethyl)-N-methyl-N-[(3R…

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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) 0.28 6.36 -89.13 4 4 2 52 277.412 4 ↓

Analogs

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Popular Name: 3-amino-N-[(3S)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-amino-N-[(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) 0.92 4.92 -48.51 4 7 1 105 279.32 3 ↓

Analogs

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Popular Name: 3-amino-N-[(3R)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-amino-N-[(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) 0.92 4.92 -48.52 4 7 1 105 279.32 3 ↓

Analogs

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Popular Name: 3-(methylamino)-N-[(3R)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-(methylamino)-N-[(3R)-1-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) 1.29 5.89 -48.6 3 7 1 91 293.347 4 ↓

Analogs

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Popular Name: 3-(methylamino)-N-[(3S)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-(methylamino)-N-[(3S)-1-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) 1.29 5.89 -48.61 3 7 1 91 293.347 4 ↓

Analogs

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Popular Name: 3-amino-N-[(3S)-1-ethyl-3-piperidyl]-4-nitro-benzamide 3-amino-N-[(3S)-1-ethyl-3-piperi…

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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) 1.30 5.58 -47.58 4 7 1 105 293.347 4 ↓

Analogs

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Popular Name: 3-amino-N-[(3R)-1-ethyl-3-piperidyl]-4-nitro-benzamide 3-amino-N-[(3R)-1-ethyl-3-piperi…

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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) 1.30 5.58 -47.56 4 7 1 105 293.347 4 ↓

Analogs

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Popular Name: 3-amino-N-methyl-N-[(3S)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-amino-N-methyl-N-[(3S)-1-methy…

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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) 0.69 6.31 -44.83 3 7 1 97 293.347 3 ↓

Analogs

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Popular Name: 3-amino-N-methyl-N-[(3R)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-amino-N-methyl-N-[(3R)-1-methy…

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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) 0.69 6.3 -46.22 3 7 1 97 293.347 3 ↓

Analogs

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Popular Name: 3-hydrazino-N-[(3S)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-hydrazino-N-[(3S)-1-methyl-3-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) 0.68 4.64 -49.05 5 8 1 117 294.335 4 ↓

Analogs

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Popular Name: 3-hydrazino-N-[(3R)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-hydrazino-N-[(3R)-1-methyl-3-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) 0.68 4.64 -49.24 5 8 1 117 294.335 4 ↓

Analogs

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Popular Name: 3-fluoro-N-[(3S)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-fluoro-N-[(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) 1.60 6.86 -54.17 2 6 1 79 282.295 3 ↓

Analogs

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Popular Name: 3-fluoro-N-[(3R)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-fluoro-N-[(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) 1.60 6.86 -54.2 2 6 1 79 282.295 3 ↓

Analogs

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Popular Name: N-[(3S)-1-ethyl-3-piperidyl]-3-fluoro-4-nitro-benzamide N-[(3S)-1-ethyl-3-piperidyl]-3-f…

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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) 1.98 7.53 -53.42 2 6 1 79 296.322 4 ↓

Analogs

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Popular Name: N-[(3R)-1-ethyl-3-piperidyl]-3-fluoro-4-nitro-benzamide N-[(3R)-1-ethyl-3-piperidyl]-3-f…

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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) 1.98 7.53 -53.37 2 6 1 79 296.322 4 ↓

Analogs

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Popular Name: 3-fluoro-N-methyl-N-[(3S)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-fluoro-N-methyl-N-[(3S)-1-meth…

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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) 1.38 8.3 -48.89 1 6 1 71 296.322 3 ↓

Analogs

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Popular Name: 3-fluoro-N-methyl-N-[(3R)-1-methyl-3-piperidyl]-4-nitro-benzamide 3-fluoro-N-methyl-N-[(3R)-1-meth…

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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) 1.38 8.29 -51.46 1 6 1 71 296.322 3 ↓

Analogs

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Popular Name: 3-(dimethylamino)-N-[(3R)-1-methylsulfonyl-3-piperidyl]benzamide 3-(dimethylamino)-N-[(3R)-1-meth…

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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) 1.00 3.14 -15.22 1 6 0 70 325.434 4 ↓

Analogs

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Popular Name: 3-(dimethylamino)-N-[(3S)-1-methylsulfonyl-3-piperidyl]benzamide 3-(dimethylamino)-N-[(3S)-1-meth…

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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) 1.00 3.18 -21.08 1 6 0 70 325.434 4 ↓

Analogs

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Popular Name: 3-chloro-4-hydroxy-N-[(3S)-1-methylsulfonyl-3-piperidyl]benzamide 3-chloro-4-hydroxy-N-[(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) 1.31 0.45 -16.68 2 6 0 87 332.809 3 ↓
Hi High (pH 8-9.5) 1.31 1.22 -46.86 1 6 -1 90 331.801 3 ↓

Analogs

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Popular Name: 3-chloro-4-hydroxy-N-[(3R)-1-methylsulfonyl-3-piperidyl]benzamide 3-chloro-4-hydroxy-N-[(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) 1.31 0.48 -22.5 2 6 0 87 332.809 3 ↓
Hi High (pH 8-9.5) 1.31 1.25 -52.96 1 6 -1 90 331.801 3 ↓

Analogs

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Popular Name: 4-chloro-3-(methanesulfonamido)-N-[(3S)-1-methyl-3-piperidyl]benzamide 4-chloro-3-(methanesulfonamido)-…

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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) 1.39 3.48 -73.45 2 6 0 82 345.852 4 ↓

Analogs

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Popular Name: 4-chloro-3-(methanesulfonamido)-N-[(3R)-1-methyl-3-piperidyl]benzamide 4-chloro-3-(methanesulfonamido)-…

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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) 1.39 3.48 -73.35 2 6 0 82 345.852 4 ↓

Analogs

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Popular Name: 5-fluoro-2-methyl-N-[(3R)-3-piperidyl]benzamide 5-fluoro-2-methyl-N-[(3R)-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) 1.50 4.65 -45.82 3 3 1 46 237.298 2 ↓

Analogs

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Popular Name: 5-fluoro-2-methyl-N-[(3S)-3-piperidyl]benzamide 5-fluoro-2-methyl-N-[(3S)-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) 1.50 4.65 -45.86 3 3 1 46 237.298 2 ↓

Analogs

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Popular Name: 5-fluoro-N,2-dimethyl-N-[(3R)-3-piperidyl]benzamide 5-fluoro-N,2-dimethyl-N-[(3R)-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) 1.27 6.01 -44.09 2 3 1 37 251.325 2 ↓

Analogs

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Popular Name: 5-fluoro-N,2-dimethyl-N-[(3S)-3-piperidyl]benzamide 5-fluoro-N,2-dimethyl-N-[(3S)-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) 1.27 6.01 -43.31 2 3 1 37 251.325 2 ↓

Analogs

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Popular Name: 5-fluoro-2-methyl-N-[(3R)-3-piperidyl]-N-propyl-benzamide 5-fluoro-2-methyl-N-[(3R)-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) 2.15 7.83 -40.56 2 3 1 37 279.379 4 ↓

Analogs

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Popular Name: 5-fluoro-2-methyl-N-[(3S)-3-piperidyl]-N-propyl-benzamide 5-fluoro-2-methyl-N-[(3S)-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) 2.15 7.84 -41.61 2 3 1 37 279.379 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-5-fluoro-2-methyl-N-[(3R)-3-piperidyl]benzamide N-(2-amino-2-oxo-ethyl)-5-fluoro…

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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) 0.00 3.46 -41.95 4 5 1 80 294.35 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-5-fluoro-2-methyl-N-[(3S)-3-piperidyl]benzamide N-(2-amino-2-oxo-ethyl)-5-fluoro…

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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) 0.00 3.46 -49.45 4 5 1 80 294.35 4 ↓

Analogs

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Popular Name: N-[(3S)-1-ethyl-3-piperidyl]-2-(isopropylamino)benzamide N-[(3S)-1-ethyl-3-piperidyl]-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) 3.08 7.45 -39.89 3 4 1 46 290.431 5 ↓

Analogs

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Popular Name: N-[(3R)-1-ethyl-3-piperidyl]-2-(isopropylamino)benzamide N-[(3R)-1-ethyl-3-piperidyl]-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) 3.08 7.45 -39.78 3 4 1 46 290.431 5 ↓

Analogs

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Popular Name: 2-(isopropylamino)-N-[(3R)-1-methyl-3-piperidyl]benzamide 2-(isopropylamino)-N-[(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) 2.70 6.8 -41.04 3 4 1 46 276.404 4 ↓

Analogs

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Popular Name: 2-(isopropylamino)-N-[(3S)-1-methyl-3-piperidyl]benzamide 2-(isopropylamino)-N-[(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) 2.70 6.8 -40.96 3 4 1 46 276.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-methyl-N-[(3R)-1-methyl-3-piperidyl]benzamide 2-(isopropylamino)-N-methyl-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) 2.47 8.12 -38.63 2 4 1 37 290.431 4 ↓

Parameters Provided:

ring.id = 538
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 = 538 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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