UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[methylsulfonyl-(4-phenoxyphenyl)amino]acetamide N-(3-chloro-4-methyl-phenyl)-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) 5.39 8.74 -27.88 1 6 0 76 444.94 7 ↓

Analogs

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Popular Name: ethyl 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) 4.86 10.17 -21.22 1 8 0 102 496.585 10 ↓

Analogs

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Popular Name: ethyl 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) 4.86 10.15 -16.3 1 8 0 102 496.585 10 ↓

Analogs

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Popular Name: ethyl 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) 5.26 9.98 -30.74 1 8 0 102 482.558 10 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 8.64 -30.65 1 8 0 102 468.531 9 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 8.47 -22.13 1 8 0 102 468.531 9 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-2-(N-mesyl-4-phenoxy-anilino)acetamide N-(3-fluorophenyl)-2-(N-mesyl-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) 4.48 -1.83 -21.96 1 6 0 75 414.458 7 ↓

Analogs

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Popular Name: (2S)-N-(2,4-dimethoxyphenyl)-2-(N-mesyl-4-phenoxy-anilino)propionamide (2S)-N-(2,4-dimethoxyphenyl)-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) 4.34 -2.41 -15.06 1 8 0 94 470.547 9 ↓

Analogs

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Popular Name: (2R)-N-(2,4-dimethoxyphenyl)-2-(N-mesyl-4-phenoxy-anilino)propionamide (2R)-N-(2,4-dimethoxyphenyl)-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) 4.34 -2.18 -20.92 1 8 0 94 470.547 9 ↓

Analogs

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Popular Name: 2-(N-mesyl-4-phenoxy-anilino)-N-[3-(methylthio)phenyl]acetamide 2-(N-mesyl-4-phenoxy-anilino)-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) 4.75 -2.92 -26.96 1 6 0 75 442.562 8 ↓

Analogs

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Popular Name: (2S)-2-[4-(4-cyanophenoxy)anilino]-N-(2-cyanophenyl)propanamide (2S)-2-[4-(4-cyanophenoxy)anilin…

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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) 4.81 9.88 -11.35 2 6 0 98 382.423 6 ↓

Analogs

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Popular Name: (2R)-2-[4-(4-cyanophenoxy)anilino]-N-(2-cyanophenyl)propanamide (2R)-2-[4-(4-cyanophenoxy)anilin…

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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) 4.81 9.87 -11.23 2 6 0 98 382.423 6 ↓

Analogs

7243324
7243324
7243327
7243327

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Popular Name: (2S)-2-[4-(3-cyanophenoxy)anilino]-N-(2-cyanophenyl)propanamide (2S)-2-[4-(3-cyanophenoxy)anilin…

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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) 4.79 9.86 -12.38 2 6 0 98 382.423 6 ↓

Analogs

7243324
7243324
7243327
7243327

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Popular Name: (2R)-2-[4-(3-cyanophenoxy)anilino]-N-(2-cyanophenyl)propanamide (2R)-2-[4-(3-cyanophenoxy)anilin…

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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) 4.79 9.85 -11.99 2 6 0 98 382.423 6 ↓

Analogs

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Popular Name: acetamide, N-(3-chlorophenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(3-chlorophenyl)-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) 5.37 8.82 -12.64 2 4 0 50 352.821 6 ↓
Lo Low (pH 4.5-6) 5.37 9.43 -49.58 3 4 1 55 353.829 6 ↓

Analogs

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Popular Name: acetamide, N-ethyl-2-[(4-phenoxyphenyl)amino]-N-phenyl- acetamide, N-ethyl-2-[(4-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) 4.97 10.78 -10.98 1 4 0 42 346.43 7 ↓

Analogs

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Popular Name: acetamide, N-(3-methylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(3-methylphenyl)-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) 5.14 8.96 -10.9 2 4 0 50 332.403 6 ↓
Lo Low (pH 4.5-6) 5.14 9.57 -44.98 3 4 1 55 333.411 6 ↓

Analogs

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Popular Name: acetamide, N-(2-chlorophenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(2-chlorophenyl)-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) 5.35 8.95 -9.07 2 4 0 50 352.821 6 ↓
Lo Low (pH 4.5-6) 5.35 9.54 -46.18 3 4 1 55 353.829 6 ↓

Analogs

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Popular Name: acetamide, N-(4-chlorophenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(4-chlorophenyl)-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) 5.40 8.82 -11.3 2 4 0 50 352.821 6 ↓
Lo Low (pH 4.5-6) 5.40 9.43 -50.27 3 4 1 55 353.829 6 ↓

Analogs

9995639
9995639

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Popular Name: acetamide, N-(3,4-dimethylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(3,4-dimethylphenyl…

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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) 5.54 9.5 -11.07 2 4 0 50 346.43 6 ↓
Lo Low (pH 4.5-6) 5.54 10.11 -44.89 3 4 1 55 347.438 6 ↓

Analogs

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Popular Name: acetamide, N-(4-ethoxyphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(4-ethoxyphenyl)-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) 5.15 8.51 -11.81 2 5 0 60 362.429 8 ↓
Lo Low (pH 4.5-6) 5.15 9.11 -47.07 3 5 1 64 363.437 8 ↓

Analogs

8190920
8190920

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Popular Name: acetamide, N-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(4-methoxyphenyl)-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) 4.78 7.57 -11.93 2 5 0 60 348.402 7 ↓
Lo Low (pH 4.5-6) 4.78 8.18 -47.22 3 5 1 64 349.41 7 ↓

Analogs

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Popular Name: acetamide, 2-[(4-phenoxyphenyl)amino]-N-(2,4,6-trimethylphenyl)- acetamide, 2-[(4-phenoxyphenyl)a…

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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) 4.99 10.65 -10.4 2 4 0 50 360.457 6 ↓
Lo Low (pH 4.5-6) 4.99 11.23 -44.84 3 4 1 55 361.465 6 ↓

Analogs

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Popular Name: benzamide, 2-[[[(4-phenoxyphenyl)amino]acetyl]amino]- benzamide, 2-[[[(4-phenoxyphenyl…

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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 5.58 -12.59 4 6 0 93 361.401 7 ↓
Lo Low (pH 4.5-6) 3.49 6.18 -44.03 5 6 1 98 362.409 7 ↓

Analogs

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Popular Name: acetamide, N-(3,5-dimethylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(3,5-dimethylphenyl…

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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) 5.54 9.62 -11.02 2 4 0 50 346.43 6 ↓
Lo Low (pH 4.5-6) 5.54 10.22 -45.04 3 4 1 55 347.438 6 ↓

Analogs

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Popular Name: acetamide, N-(2,5-dimethylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(2,5-dimethylphenyl…

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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) 5.54 9.82 -11.02 2 4 0 50 346.43 6 ↓
Lo Low (pH 4.5-6) 5.54 10.42 -45.28 3 4 1 55 347.438 6 ↓

Analogs

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Popular Name: acetamide, N-(3-chloro-2-methylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(3-chloro-2-methylp…

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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) 5.75 9.59 -10.09 2 4 0 50 366.848 6 ↓
Lo Low (pH 4.5-6) 5.75 10.18 -47.1 3 4 1 55 367.856 6 ↓

Analogs

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Popular Name: acetamide, N-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(3-methoxyphenyl)-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) 4.75 7.58 -11.34 2 5 0 60 348.402 7 ↓
Lo Low (pH 4.5-6) 4.75 8.19 -46.34 3 5 1 64 349.41 7 ↓

Analogs

9995696
9995696

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Popular Name: acetamide, N-(3-chloro-4-methylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(3-chloro-4-methylp…

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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) 5.78 9.4 -10.01 2 4 0 50 366.848 6 ↓
Lo Low (pH 4.5-6) 5.78 10.01 -46.48 3 4 1 55 367.856 6 ↓

Analogs

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Popular Name: acetamide, N-(2,3-dimethylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(2,3-dimethylphenyl…

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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) 5.52 9.72 -11.11 2 4 0 50 346.43 6 ↓
Lo Low (pH 4.5-6) 5.52 10.32 -45.34 3 4 1 55 347.438 6 ↓

Analogs

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Popular Name: acetamide, N-methyl-2-[(4-phenoxyphenyl)amino]-N-phenyl- acetamide, N-methyl-2-[(4-phenox…

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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) 4.60 10.02 -11.37 1 4 0 42 332.403 6 ↓

Analogs

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Popular Name: acetamide, N-(2-methoxyphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(2-methoxyphenyl)-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) 4.73 7.74 -10.54 2 5 0 60 348.402 7 ↓
Lo Low (pH 4.5-6) 4.73 8.34 -43.33 3 5 1 64 349.41 7 ↓

Analogs

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Popular Name: acetamide, N-(2-ethoxyphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(2-ethoxyphenyl)-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) 5.11 8.67 -10.22 2 5 0 60 362.429 8 ↓
Lo Low (pH 4.5-6) 5.11 9.26 -42.85 3 5 1 64 363.437 8 ↓

Analogs

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Popular Name: acetamide, N-(2-fluorophenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(2-fluorophenyl)-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) 4.84 8.45 -9.6 2 4 0 50 336.366 6 ↓
Lo Low (pH 4.5-6) 4.84 9.05 -46.8 3 4 1 55 337.374 6 ↓

Analogs

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Popular Name: acetamide, N-(2,6-dimethylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(2,6-dimethylphenyl…

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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) 4.58 9.84 -10.22 2 4 0 50 346.43 6 ↓
Lo Low (pH 4.5-6) 4.58 10.45 -44.92 3 4 1 55 347.438 6 ↓

Analogs

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Popular Name: acetamide, N-(2-ethyl-6-methylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(2-ethyl-6-methylph…

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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) 5.05 10.59 -9.98 2 4 0 50 360.457 7 ↓
Lo Low (pH 4.5-6) 5.05 11.2 -44.83 3 4 1 55 361.465 7 ↓

Analogs

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Popular Name: acetamide, N-(5-chloro-2-methylphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(5-chloro-2-methylp…

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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) 5.78 9.74 -12.17 2 4 0 50 366.848 6 ↓
Lo Low (pH 4.5-6) 5.78 10.34 -46.92 3 4 1 55 367.856 6 ↓

Analogs

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Popular Name: acetamide, N-[2-(1-methylethyl)phenyl]-2-[(4-phenoxyphenyl)amino]- acetamide, N-[2-(1-methylethyl)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) 5.71 10.44 -10.24 2 4 0 50 360.457 7 ↓
Lo Low (pH 4.5-6) 5.71 11.04 -44.66 3 4 1 55 361.465 7 ↓

Analogs

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Popular Name: acetamide, N-(3-ethoxyphenyl)-2-[(4-phenoxyphenyl)amino]- acetamide, N-(3-ethoxyphenyl)-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) 5.13 8.51 -11.12 2 5 0 60 362.429 8 ↓
Lo Low (pH 4.5-6) 5.13 9.12 -46.08 3 5 1 64 363.437 8 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[[2-(4-phenoxyanilino)acetyl]amino]benzamide N,N-dimethyl-4-[[2-(4-phenoxyani…

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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 8.21 -16.36 2 6 0 71 389.455 7 ↓
Lo Low (pH 4.5-6) 3.69 8.83 -54.91 3 6 1 75 390.463 7 ↓

Analogs

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Popular Name: benzamide, 3-[[[(4-phenoxyphenyl)amino]acetyl]amino]- benzamide, 3-[[[(4-phenoxyphenyl…

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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) 3.52 5.07 -21.41 4 6 0 93 361.401 7 ↓
Lo Low (pH 4.5-6) 3.52 5.68 -53.61 5 6 1 98 362.409 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-[[2-(4-phenoxyanilino)acetyl]amino]benzamide N-methyl-4-[[2-(4-phenoxyanilino…

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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 6.59 -15.81 3 6 0 79 375.428 7 ↓
Lo Low (pH 4.5-6) 3.91 7.2 -54.75 4 6 1 84 376.436 7 ↓

Parameters Provided:

ring.id = 68270
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 = 68270 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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