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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3,5-dichloro-N-[[methyl(phenylmethyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[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) 4.25 -0.28 -18.03 1 3 0 32 353.274 5 ↓

Analogs

10505552
10505552

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3,5-dichloro-N-[[(phenylmethyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(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) 4.01 -2.55 -15.06 2 3 0 41 339.247 5 ↓

Analogs

10505270
10505270

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3,5-dichloro-N-[[(1-phenylethyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(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) 4.56 -1.76 -15.23 2 3 0 41 353.274 5 ↓

Analogs

10505268
10505268

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3,5-dichloro-N-[[(1-phenylethyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(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) 4.56 -1.75 -15.23 2 3 0 41 353.274 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-nitro- benzamide, N-[[(3-amino-3-oxopro…

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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) 1.88 8.98 -35.47 3 8 0 121 386.433 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2,4-dichloro- benzamide, N-[[(3-amino-3-oxopro…

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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) 3.25 8.47 -23.66 3 5 0 75 410.326 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-iodo- benzamide, N-[[(3-amino-3-oxopro…

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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) 3.00 8.52 -23 3 5 0 75 467.332 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-chloro- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.60 7.97 -25.25 3 5 0 75 375.881 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-chloro- benzamide, N-[[(3-amino-3-oxopro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 7.97 -22.62 3 5 0 75 375.881 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-nitro- benzamide, N-[[(3-amino-3-oxopro…

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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) 1.90 8.12 -31.27 3 8 0 121 386.433 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3,5-dinitro- benzamide, N-[[(3-amino-3-oxopro…

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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) 1.81 8.79 -24.31 3 11 0 167 431.43 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-methoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.02 6.78 -24.47 3 6 0 85 371.462 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-iodo-4-methoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 3.04 7.93 -25.99 3 6 0 85 497.358 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-methyl- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.39 8.11 -23.7 3 5 0 75 355.463 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3,4,5-trimethoxy- benzamide, N-[[(3-amino-3-oxopro…

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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 6.64 -24.81 3 8 0 103 431.514 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]- benzamide, N-[[(3-amino-3-oxopro…

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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) 1.97 7.45 -23.7 3 5 0 75 341.436 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-bromo-4-methoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.76 7.44 -26.3 3 6 0 85 450.358 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-methyl- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.42 8.11 -23.43 3 5 0 75 355.463 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-bromo-4-methyl- benzamide, N-[[(3-amino-3-oxopro…

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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) 3.15 8.68 -24.64 3 5 0 75 434.359 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-(1,1-dimethylethyl)- benzamide, N-[[(3-amino-3-oxopro…

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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 9.78 -22.79 3 5 0 75 397.544 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-methyl- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.37 8.13 -22.31 3 5 0 75 355.463 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-iodo-4-methyl- benzamide, N-[[(3-amino-3-oxopro…

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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 9.15 -24.5 3 5 0 75 481.359 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-bromo- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.73 8.07 -24.52 3 5 0 75 420.332 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-fluoro- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.13 7.52 -22.97 3 5 0 75 359.426 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-nitro- benzamide, N-[[(3-amino-3-oxopro…

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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) 1.93 8.12 -25.22 3 8 0 121 386.433 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-methoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.53 7.89 -26.71 3 6 0 85 371.462 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-chloro- benzamide, N-[[(3-amino-3-oxopro…

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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 7.96 -24.79 3 5 0 75 375.881 8 ↓

Analogs

5336436
5336436

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-ethoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.40 7.71 -24.12 3 6 0 85 385.489 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-ethoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.90 8.8 -26.73 3 6 0 85 385.489 10 ↓

Analogs

33753685
33753685

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-(hexyloxy)- benzamide, N-[[(3-amino-3-oxopro…

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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 10.84 -23.81 3 6 0 85 441.597 14 ↓

Analogs

33753684
33753684
33753685
33753685

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-(pentyloxy)- benzamide, N-[[(3-amino-3-oxopro…

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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) 3.97 10.07 -23.81 3 6 0 85 427.57 13 ↓

Analogs

33753684
33753684
33753685
33753685

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-butoxy- benzamide, N-[[(3-amino-3-oxopro…

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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 9.29 -23.86 3 6 0 85 413.543 12 ↓

Analogs

33753684
33753684
33753686
33753686

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-(2-methylpropoxy)- benzamide, N-[[(3-amino-3-oxopro…

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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) 3.15 9.2 -23.84 3 6 0 85 413.543 11 ↓

Analogs

33753684
33753684
33753685
33753685
33753686
33753686
33753693
33753693
33753694
33753694

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-propoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.90 8.51 -23.77 3 6 0 85 399.516 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-butoxy- benzamide, N-[[(3-amino-3-oxopro…

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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 10.38 -26.62 3 6 0 85 413.543 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-(hexyloxy)- benzamide, N-[[(3-amino-3-oxopro…

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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) 4.97 11.93 -26.5 3 6 0 85 441.597 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-(3-methylbutoxy)- benzamide, N-[[(3-amino-3-oxopro…

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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 10.89 -26.41 3 6 0 85 427.57 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-(2-methylpropoxy)- benzamide, N-[[(3-amino-3-oxopro…

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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 10.27 -26.34 3 6 0 85 413.543 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-(pentyloxy)- benzamide, N-[[(3-amino-3-oxopro…

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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 11.15 -26.46 3 6 0 85 427.57 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-propoxy- benzamide, N-[[(3-amino-3-oxopro…

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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 9.6 -26.6 3 6 0 85 399.516 11 ↓

Analogs

33753684
33753684
33753685
33753685

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-(3-methylbutoxy)- benzamide, N-[[(3-amino-3-oxopro…

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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) 3.68 9.81 -23.67 3 6 0 85 427.57 12 ↓

Analogs

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Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-2-fluoro- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.08 7.53 -28.12 3 5 0 75 359.426 8 ↓

Analogs

33753741
33753741
33753742
33753742
5336436
5336436

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Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-4-(1-methylethoxy)- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.76 8.32 -23.32 3 6 0 85 399.516 10 ↓

Analogs

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Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-bromo-4-butoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 4.20 9.95 -25.74 3 6 0 85 492.439 12 ↓

Analogs

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Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-butoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 3.44 9.26 -25.96 3 6 0 85 413.543 12 ↓

Analogs

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Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-ethoxy- benzamide, N-[[(3-amino-3-oxopro…

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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 7.69 -26.25 3 6 0 85 385.489 10 ↓

Analogs

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Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-bromo-4-(hexyloxy)- benzamide, N-[[(3-amino-3-oxopro…

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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) 5.21 11.5 -25.71 3 6 0 85 520.493 14 ↓

Analogs

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Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-propoxy- benzamide, N-[[(3-amino-3-oxopro…

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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) 2.88 8.49 -25.98 3 6 0 85 399.516 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-(3-methylbutoxy)- benzamide, N-[[(3-amino-3-oxopro…

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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 9.78 -25.84 3 6 0 85 427.57 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[[(3-amino-3-oxopropyl)(phenylmethyl)amino]thioxomethyl]-3-bromo-4-(3-methylbutoxy)- benzamide, N-[[(3-amino-3-oxopro…

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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) 4.41 10.47 -25.61 3 6 0 85 506.466 12 ↓

Parameters Provided:

ring.id = 9020
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 = 9020 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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