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

33787518
33787518
712359
712359

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-4-methyl- benzamide, N-[4-[[(3-methoxypyra…

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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) 2.64 -5.5 -18.74 2 8 0 110 398.444 6 ↓
Hi High (pH 8-9.5) 2.64 -5 -52.48 1 8 -1 112 397.436 6 ↓

Analogs

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Popular Name: 3-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide 3-fluoro-N-[4-[(3-methoxypyrazin…

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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 -5.1 -16.05 2 8 0 110 402.407 6 ↓
Hi High (pH 8-9.5) 2.33 -4.6 -49.74 1 8 -1 112 401.399 6 ↓

Analogs

1514780
1514780

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Popular Name: 2,4-dimethoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide 2,4-dimethoxy-N-[4-[(3-methoxypy…

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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) 2.78 -5.12 -20.65 2 10 0 128 444.469 8 ↓
Hi High (pH 8-9.5) 2.78 -4.62 -55.4 1 10 -1 130 443.461 8 ↓

Analogs

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Popular Name: benzamide, 3,4,5-trimethoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 3,4,5-trimethoxy-N-[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) 1.82 -5.02 -21.83 2 11 0 137 474.495 9 ↓
Hi High (pH 8-9.5) 1.82 -4.52 -53.38 1 11 -1 140 473.487 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-2-methyl- benzamide, N-[4-[[(3-methoxypyra…

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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 3.08 -54.59 1 8 -1 112 397.436 6 ↓
Lo Low (pH 4.5-6) 2.59 3.59 -16.3 2 8 0 110 398.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 2-[[[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]amino]carbonyl]- benzoic acid, 2-[[[4-[[(3-methox…

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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) 1.72 3.56 -121.78 1 10 -2 152 426.41 7 ↓
Lo Low (pH 4.5-6) 1.72 4.07 -67.55 2 10 -1 150 427.418 7 ↓

Analogs

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Popular Name: benzamide, 2,4-dichloro-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 2,4-dichloro-N-[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) 3.48 3.42 -55.41 1 8 -1 112 452.299 6 ↓
Lo Low (pH 4.5-6) 3.48 3.92 -17.49 2 8 0 110 453.307 6 ↓

Analogs

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Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-3,5-dinitro- benzamide, N-[4-[[(3-methoxypyra…

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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) 2.04 3.8 -54.74 1 14 -1 204 473.403 8 ↓
Lo Low (pH 4.5-6) 2.04 4.32 -19.54 2 14 0 202 474.411 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-4-methoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 3-bromo-4-methoxy-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) 2.98 2.39 -54.03 1 9 -1 122 492.331 7 ↓
Lo Low (pH 4.5-6) 2.98 2.9 -16.89 2 9 0 120 493.339 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-4-methyl- benzamide, 3-bromo-N-[4-[[(3-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) 3.38 3.61 -52.97 1 8 -1 112 476.332 6 ↓
Lo Low (pH 4.5-6) 3.38 4.12 -15.53 2 8 0 110 477.34 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-ethoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 2-ethoxy-N-[4-[[(3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 3.78 -59.31 1 9 -1 122 427.462 8 ↓
Lo Low (pH 4.5-6) 3.12 4.28 -19.84 2 9 0 120 428.47 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-(hexyloxy)-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 4-(hexyloxy)-N-[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) 4.70 5.8 -54.75 1 9 -1 122 483.57 12 ↓
Lo Low (pH 4.5-6) 4.70 6.31 -16.98 2 9 0 120 484.578 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-4-(pentyloxy)- benzamide, N-[4-[[(3-methoxypyra…

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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) 4.19 5.02 -54.74 1 9 -1 122 469.543 11 ↓
Lo Low (pH 4.5-6) 4.19 5.52 -16.91 2 9 0 120 470.551 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-butoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 4-butoxy-N-[4-[[(3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 4.24 -54.84 1 9 -1 122 455.516 10 ↓
Lo Low (pH 4.5-6) 3.69 4.75 -17 2 9 0 120 456.524 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-4-(2-methylpropoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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 4.14 -54.7 1 9 -1 122 455.516 9 ↓
Lo Low (pH 4.5-6) 3.37 4.65 -16.92 2 9 0 120 456.524 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-4-propoxy- benzamide, N-[4-[[(3-methoxypyra…

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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) 3.13 3.47 -54.83 1 9 -1 122 441.489 9 ↓
Lo Low (pH 4.5-6) 3.13 3.96 -17.05 2 9 0 120 442.497 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-butoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 2-butoxy-N-[4-[[(3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.19 5.36 -59.4 1 9 -1 122 455.516 10 ↓
Lo Low (pH 4.5-6) 4.19 5.86 -19.56 2 9 0 120 456.524 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(hexyloxy)-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 2-(hexyloxy)-N-[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 6.91 -59.29 1 9 -1 122 483.57 12 ↓
Lo Low (pH 4.5-6) 5.20 7.42 -19.4 2 9 0 120 484.578 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-2-(3-methylbutoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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) 4.40 5.88 -59.36 1 9 -1 122 469.543 10 ↓
Lo Low (pH 4.5-6) 4.40 6.39 -19.41 2 9 0 120 470.551 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-2-(2-methylpropoxy)- benzamide, N-[4-[[(3-methoxypyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 5.25 -59.33 1 9 -1 122 455.516 9 ↓
Lo Low (pH 4.5-6) 3.87 5.76 -19.27 2 9 0 120 456.524 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-2-(pentyloxy)- benzamide, N-[4-[[(3-methoxypyra…

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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) 4.69 6.14 -59.33 1 9 -1 122 469.543 11 ↓
Lo Low (pH 4.5-6) 4.69 6.64 -19.48 2 9 0 120 470.551 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-2-propoxy- benzamide, N-[4-[[(3-methoxypyra…

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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) 3.63 4.58 -59.32 1 9 -1 122 441.489 9 ↓
Lo Low (pH 4.5-6) 3.63 5.08 -19.6 2 9 0 120 442.497 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-4-(3-methylbutoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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 4.76 -54.72 1 9 -1 122 469.543 10 ↓
Lo Low (pH 4.5-6) 3.90 5.27 -16.87 2 9 0 120 470.551 10 ↓

Analogs

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Popular Name: benzamide, 2-fluoro-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 2-fluoro-N-[4-[[(3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 2.48 -59.92 1 8 -1 112 401.399 6 ↓
Lo Low (pH 4.5-6) 2.31 2.99 -20.72 2 8 0 110 402.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-butoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 3-butoxy-N-[4-[[(3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 4.22 -57.68 1 9 -1 122 455.516 10 ↓
Lo Low (pH 4.5-6) 3.66 4.73 -19.09 2 9 0 120 456.524 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-ethoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 3-ethoxy-N-[4-[[(3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 2.64 -58 1 9 -1 122 427.462 8 ↓
Lo Low (pH 4.5-6) 2.60 3.14 -19.37 2 9 0 120 428.47 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-3-propoxy- benzamide, N-[4-[[(3-methoxypyra…

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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) 3.10 3.44 -57.76 1 9 -1 122 441.489 9 ↓
Lo Low (pH 4.5-6) 3.10 3.95 -19.08 2 9 0 120 442.497 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-3-(3-methylbutoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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 4.74 -57.55 1 9 -1 122 469.543 10 ↓
Lo Low (pH 4.5-6) 3.88 5.26 -18.96 2 9 0 120 470.551 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-ethoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 5-bromo-2-ethoxy-N-[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) 3.91 4.39 -56.55 1 9 -1 122 506.358 8 ↓
Lo Low (pH 4.5-6) 3.91 4.9 -17.86 2 9 0 120 507.366 8 ↓

Analogs

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Popular Name: benzamide, 4-(2-methoxyethoxy)-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 4-(2-methoxyethoxy)-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) 2.14 1.93 -56.91 1 10 -1 131 457.488 10 ↓
Lo Low (pH 4.5-6) 2.14 2.44 -19.12 2 10 0 129 458.496 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-(2-methoxyethoxy)-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 2-(2-methoxyethoxy)-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) 2.64 3.01 -62.16 1 10 -1 131 457.488 10 ↓
Lo Low (pH 4.5-6) 2.64 3.52 -22.09 2 10 0 129 458.496 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-2-(1-methylethoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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 4.39 -59.39 1 9 -1 122 441.489 8 ↓
Lo Low (pH 4.5-6) 3.49 4.89 -19.66 2 9 0 120 442.497 8 ↓

Analogs

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Popular Name: benzamide, 3-bromo-4-ethoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 3-bromo-4-ethoxy-N-[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) 3.36 3.32 -53.81 1 9 -1 122 506.358 8 ↓
Lo Low (pH 4.5-6) 3.36 3.83 -16.66 2 9 0 120 507.366 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 5-bromo-2-methoxy-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 5-bromo-2-methoxy-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) 3.53 3.49 -56.38 1 9 -1 122 492.331 7 ↓
Lo Low (pH 4.5-6) 3.53 3.99 -17.97 2 9 0 120 493.339 7 ↓

Analogs

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Popular Name: benzamide, 4-(2-ethoxyethoxy)-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 4-(2-ethoxyethoxy)-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) 2.52 2.89 -56.85 1 10 -1 131 471.515 11 ↓
Lo Low (pH 4.5-6) 2.52 3.39 -18.99 2 10 0 129 472.523 11 ↓

Analogs

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Popular Name: benzamide, 2-(2-ethoxyethoxy)-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 2-(2-ethoxyethoxy)-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) 3.02 3.98 -62.42 1 10 -1 131 471.515 11 ↓
Lo Low (pH 4.5-6) 3.02 4.49 -22.11 2 10 0 129 472.523 11 ↓

Analogs

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Popular Name: benzamide, 3-(2-ethoxyethoxy)-N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]- benzamide, 3-(2-ethoxyethoxy)-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) 2.49 2.88 -60.68 1 10 -1 131 471.515 11 ↓
Lo Low (pH 4.5-6) 2.49 3.39 -21.62 2 10 0 129 472.523 11 ↓

Analogs

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Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-3-(2-methylpropoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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) 3.35 4.14 -57.7 1 9 -1 122 455.516 9 ↓
Lo Low (pH 4.5-6) 3.35 4.65 -18.92 2 9 0 120 456.524 9 ↓

Analogs

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Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-4-(1-methylpropoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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 4.07 -55.41 1 9 -1 122 455.516 9 ↓
Lo Low (pH 4.5-6) 3.49 4.58 -17.55 2 9 0 120 456.524 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-4-(1-methylpropoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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 4.07 -54.88 1 9 -1 122 455.516 9 ↓
Lo Low (pH 4.5-6) 3.49 4.57 -17.08 2 9 0 120 456.524 9 ↓

Analogs

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Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-3-(1-methylethoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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) 2.96 3.25 -57.96 1 9 -1 122 441.489 8 ↓
Lo Low (pH 4.5-6) 2.96 3.76 -19.22 2 9 0 120 442.497 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-3-(1-methylpropoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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 4.07 -57.98 1 9 -1 122 455.516 9 ↓
Lo Low (pH 4.5-6) 3.47 4.58 -19.09 2 9 0 120 456.524 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-3-(1-methylpropoxy)- benzamide, N-[4-[[(3-methoxypyra…

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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 4.07 -57.98 1 9 -1 122 455.516 9 ↓
Lo Low (pH 4.5-6) 3.47 4.57 -19.07 2 9 0 120 456.524 9 ↓

Analogs

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Popular Name: benzoic acid, 3-[[[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]amino]carbonyl]-, methyl ester benzoic acid, 3-[[[4-[[(3-methox…

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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) 2.34 3.04 -62.47 1 10 -1 139 441.445 8 ↓
Lo Low (pH 4.5-6) 2.34 3.56 -23.56 2 10 0 137 442.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(3-methoxypyrazinyl)amino]sulfonyl]phenyl]-4-(1-methylethyl)- benzamide, N-[4-[[(3-methoxypyra…

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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 4.34 -54.67 1 8 -1 112 425.49 7 ↓
Lo Low (pH 4.5-6) 3.70 4.85 -16.53 2 8 0 110 426.498 7 ↓

Parameters Provided:

ring.id = 3667
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 = 3667 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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