UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(2,3-dimethylphenyl)-methylsulfonyl-amino]-acetamide N-(3-chloro-2-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) 4.42 7.69 -21.94 1 5 0 66 380.897 5 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[(2,3-dimethylphenyl)-methylsulfonyl-amino]-acetamide N-(5-chloro-2-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) 4.44 -2.25 -25.48 1 5 0 66 380.897 5 ↓

Analogs

1154837
1154837

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Popular Name: 2-[(4-ethoxyphenyl)-methylsulfonyl-amino]-N-(m-tolyl)propanamide 2-[(4-ethoxyphenyl)-methylsulfon…

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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 -2.93 -14.5 1 6 0 75 376.478 7 ↓

Analogs

1154837
1154837

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Popular Name: 2-[(4-ethoxyphenyl)-methylsulfonyl-amino]-N-(m-tolyl)propanamide 2-[(4-ethoxyphenyl)-methylsulfon…

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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 -2.66 -22.15 1 6 0 75 376.478 7 ↓

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)-methylsulfonyl-amino]-acetamide N-(3,4-dimethoxyphenyl)-2-[(2-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) 2.24 -2.63 -23.19 1 8 0 94 394.449 8 ↓

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) 3.28 -1.63 -14.19 1 8 0 102 420.487 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) 3.28 -1.48 -19.73 1 8 0 102 420.487 9 ↓

Analogs

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Popular Name: N-(2-aminophenyl)-2-(N-ethyl-3-methyl-anilino)acetamide N-(2-aminophenyl)-2-(N-ethyl-3-m…

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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) 3.45 7.19 -11.21 3 4 0 58 283.375 5 ↓

Analogs

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Popular Name: N-(4-aminophenyl)-2-(N-ethyl-3-methyl-anilino)acetamide N-(4-aminophenyl)-2-(N-ethyl-3-m…

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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) 3.09 6.9 -11.24 3 4 0 58 283.375 5 ↓

Analogs

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Popular Name: N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-chloroanilino)acetamide N-[3-(tert-butylsulfamoyl)phenyl…

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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) 3.83 4.01 -14.12 3 6 0 87 395.912 7 ↓

Analogs

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Popular Name: propanamide, N-[4-[[2-[(2-chlorophenyl)amino]acetyl]amino]phenyl]-2-methyl- propanamide, N-[4-[[2-[(2-chloro…

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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 6.43 -18.5 3 5 0 70 345.83 6 ↓

Analogs

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Popular Name: acetamide, N-[4-(acetylmethylamino)phenyl]-2-[(2-chlorophenyl)amino]- acetamide, N-[4-(acetylmethylami…

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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) 3.06 6.26 -15.33 2 5 0 61 331.803 5 ↓

Analogs

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Popular Name: benzamide, 2-[[(methylphenylamino)acetyl]amino]- benzamide, 2-[[(methylphenylamin…

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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 4.63 -12.58 3 5 0 75 283.331 5 ↓
Lo Low (pH 4.5-6) 1.98 4.96 -18.9 4 5 0 77 284.339 5 ↓

Analogs

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Popular Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-(N-ethylanilino)acetamide N-(2,3-dimethyl-5-sulfamoyl-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 4.71 -18.45 3 6 0 93 361.467 6 ↓
Lo Low (pH 4.5-6) 3.03 4.61 -79.92 4 6 0 94 362.475 6 ↓

Analogs

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Popular Name: propanamide, 2-methyl-N-[4-[[2-(methylphenylamino)acetyl]amino]phenyl]- propanamide, 2-methyl-N-[4-[[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) 3.51 7.79 -18.9 2 5 0 61 325.412 6 ↓
Lo Low (pH 4.5-6) 3.51 8.12 -25 3 5 0 63 326.42 6 ↓

Analogs

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Popular Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(N-ethylanilino)acetamide N-[2-chloro-6-(trifluoromethyl)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) 5.06 10.27 -9.99 1 3 0 32 356.775 6 ↓
Lo Low (pH 4.5-6) 5.06 10.03 -26.36 2 3 0 34 357.783 6 ↓

Analogs

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Popular Name: propanamide, N-[4-[[2-(ethylphenylamino)acetyl]amino]phenyl]-2-methyl- propanamide, N-[4-[[2-(ethylphen…

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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) 3.89 8.72 -18.51 2 5 0 61 339.439 7 ↓
Lo Low (pH 4.5-6) 3.89 8.57 -37.7 3 5 0 63 340.447 7 ↓

Analogs

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Popular Name: benzamide, 4-[[(ethylphenylamino)acetyl]amino]-N-methyl- benzamide, 4-[[(ethylphenylamino…

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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 6.64 -19.12 2 5 0 61 311.385 6 ↓
Lo Low (pH 4.5-6) 2.78 6.5 -71.46 3 5 0 63 312.393 6 ↓

Analogs

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Popular Name: benzamide, N,N-diethyl-3-[[(ethylphenylamino)acetyl]amino]- benzamide, N,N-diethyl-3-[[(ethy…

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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) 3.28 10.12 -20.33 1 5 0 53 353.466 8 ↓
Lo Low (pH 4.5-6) 3.28 10.08 -25.81 2 5 0 54 354.474 8 ↓

Analogs

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Popular Name: acetamide, N-[4-(acetylmethylamino)phenyl]-2-(methylphenylamino)- acetamide, N-[4-(acetylmethylami…

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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) 2.67 8.1 -17.38 1 5 0 53 311.385 5 ↓
Lo Low (pH 4.5-6) 2.67 8.42 -24.83 2 5 0 54 312.393 5 ↓

Analogs

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

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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) 2.36 5.56 -12.16 3 5 0 75 297.358 6 ↓
Lo Low (pH 4.5-6) 2.36 5.47 -51.96 4 5 0 77 298.366 6 ↓

Analogs

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Popular Name: benzamide, N-ethyl-3-[[(ethylphenylamino)acetyl]amino]- benzamide, N-ethyl-3-[[(ethylphe…

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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 7.47 -21.53 2 5 0 61 325.412 7 ↓
Lo Low (pH 4.5-6) 3.13 7.45 -26.04 3 5 0 63 326.42 7 ↓

Analogs

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Popular Name: benzamide, 3-[[(ethylphenylamino)acetyl]amino]-N-methyl- benzamide, 3-[[(ethylphenylamino…

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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 6.64 -22.12 2 5 0 61 311.385 6 ↓
Lo Low (pH 4.5-6) 2.76 6.49 -41.11 3 5 0 63 312.393 6 ↓

Analogs

25513825
25513825

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Popular Name: N-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]-2-(N-ethylanilino)acetamide N-[3-(dimethylsulfamoyl)-4-metho…

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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 6.23 -23.44 1 7 0 79 391.493 8 ↓
Lo Low (pH 4.5-6) 2.88 6.09 -81.24 2 7 0 80 392.501 8 ↓

Analogs

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Popular Name: acetamide, N-[4-(acetylmethylamino)phenyl]-2-(ethylphenylamino)- acetamide, N-[4-(acetylmethylami…

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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) 3.05 8.63 -20.13 1 5 0 53 325.412 6 ↓
Lo Low (pH 4.5-6) 3.05 8.86 -36.34 2 5 0 54 326.42 6 ↓

Analogs

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Popular Name: 2-(2-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide 2-(2-bromoanilino)-N-[2-(trifluo…

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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) 4.57 7.45 -8.15 2 3 0 41 373.172 5 ↓

Analogs

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Popular Name: 3-[[2-(4-chloro-2-methyl-anilino)acetyl]amino]-N,N-diethyl-benzamide 3-[[2-(4-chloro-2-methyl-anilino…

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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) 3.71 8.56 -18.03 2 5 0 61 373.884 7 ↓

Analogs

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Popular Name: N-methyl-3-[[2-[4-(trifluoromethoxy)anilino]acetyl]amino]benzamide N-methyl-3-[[2-[4-(trifluorometh…

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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 3.55 -20.46 3 6 0 79 367.327 7 ↓

Analogs

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Popular Name: N-(4-methyl-2-nitro-phenyl)-2-[4-(trifluoromethoxy)anilino]acetamide N-(4-methyl-2-nitro-phenyl)-2-[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 6.96 -8.93 2 7 0 96 369.299 7 ↓

Analogs

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Popular Name: benzamide, 2-[[2-[[3-[(diethylamino)carbonyl]phenyl]amino]-2-oxoethyl]amino]- benzamide, 2-[[2-[[3-[(diethylam…

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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) 1.43 4.4 -27.95 4 7 0 105 368.437 8 ↓

Analogs

25894317
25894317

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Popular Name: benzamide, N,N-diethyl-3-[[[[2-(1-methylethyl)phenyl]amino]acetyl]amino]- benzamide, N,N-diethyl-3-[[[[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) 3.65 9.3 -18.21 2 5 0 61 367.493 8 ↓

Analogs

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Popular Name: N,N-diethyl-3-[[2-(2,3,4-trifluoroanilino)acetyl]amino]benzamide N,N-diethyl-3-[[2-(2,3,4-trifluo…

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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) 3.01 7.44 -25.66 2 5 0 61 379.382 7 ↓

Analogs

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Popular Name: 2-(2,5-difluoroanilino)-N-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]acetamide 2-(2,5-difluoroanilino)-N-[3-(di…

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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 3.45 -22.72 2 7 0 88 399.419 7 ↓

Analogs

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Popular Name: 3-[[2-(2,5-difluoroanilino)acetyl]amino]-N,N-diethyl-benzamide 3-[[2-(2,5-difluoroanilino)acety…

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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) 2.92 7.39 -19.72 2 5 0 61 361.392 7 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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) 4.10 8.41 -12.47 2 7 0 94 370.405 9 ↓

Analogs

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Popular Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-(N-ethyl-2-methyl-anilino)acetamide N-(2,3-dimethyl-5-sulfamoyl-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 5.99 -17.13 3 6 0 93 375.494 6 ↓
Mid Mid (pH 6-8) 3.44 5.49 -43.89 4 6 1 94 376.502 6 ↓

Analogs

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Popular Name: 2-[[2-(N-ethyl-2-methyl-anilino)acetyl]amino]benzamide 2-[[2-(N-ethyl-2-methyl-anilino)…

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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 6.86 -11.51 3 5 0 75 311.385 6 ↓
Mid Mid (pH 6-8) 2.76 6.37 -30.18 4 5 1 77 312.393 6 ↓

Analogs

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Popular Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(N-ethyl-2-methyl-anilino)acetamide N-[2-chloro-6-(trifluoromethyl)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) 5.46 11.57 -7.99 1 3 0 32 370.802 6 ↓
Mid Mid (pH 6-8) 5.46 10.83 -33.52 2 3 1 34 371.81 6 ↓

Analogs

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Popular Name: N-(5-acetamido-2-methoxy-phenyl)-2-(N-ethyl-2-methyl-anilino)acetamide N-(5-acetamido-2-methoxy-phenyl)…

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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) 3.19 7.93 -12.91 2 6 0 71 355.438 7 ↓
Mid Mid (pH 6-8) 3.19 7.44 -39.32 3 6 1 72 356.446 7 ↓

Analogs

6249827
6249827

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Popular Name: 2-(2-bromo-4-methyl-anilino)-N-[2-(trifluoromethyl)phenyl]acetamide 2-(2-bromo-4-methyl-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) 5.00 8.12 -8.03 2 3 0 41 387.199 5 ↓

Analogs

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

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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 8.95 -8.44 2 3 0 41 296.414 4 ↓

Analogs

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Popular Name: 2-(2,6-dimethylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide 2-(2,6-dimethylanilino)-N-[3-(di…

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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) 2.12 4.7 -14.09 2 6 0 79 361.467 6 ↓

Analogs

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Popular Name: benzoic acid, 4-[[[(2,6-dimethylphenyl)amino]acetyl]amino]-, methyl ester benzoic acid, 4-[[[(2,6-dimethyl…

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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 7.36 -13.46 2 5 0 67 312.369 6 ↓

Analogs

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Popular Name: benzamide, 3-[[[(2,6-dimethylphenyl)amino]acetyl]amino]-N-ethyl- benzamide, 3-[[[(2,6-dimethylphe…

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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 5.81 -19.22 3 5 0 70 325.412 6 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-(N-isopropylanilino)acetamide N-(2,4-difluorophenyl)-2-(N-isop…

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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) 4.14 8.76 -7.43 1 3 0 32 304.34 5 ↓
Lo Low (pH 4.5-6) 4.14 8.82 -56.17 2 3 0 34 305.348 5 ↓

Analogs

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Popular Name: 2-(N-isopropylanilino)-N-(2-methoxyphenyl)acetamide 2-(N-isopropylanilino)-N-(2-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) 3.89 7.99 -9.58 1 4 0 42 298.386 6 ↓
Lo Low (pH 4.5-6) 3.89 8.05 -27.26 2 4 0 43 299.394 6 ↓

Analogs

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Popular Name: 2-(N-isopropylanilino)-N-(2-methoxy-5-methyl-phenyl)acetamide 2-(N-isopropylanilino)-N-(2-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) 4.32 8.61 -9.88 1 4 0 42 312.413 6 ↓
Lo Low (pH 4.5-6) 4.32 8.77 -26.15 2 4 0 43 313.421 6 ↓

Analogs

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Popular Name: 2-(N-isopropylanilino)-N-(4-methoxyphenyl)acetamide 2-(N-isopropylanilino)-N-(4-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) 3.94 7.88 -10.71 1 4 0 42 298.386 6 ↓
Lo Low (pH 4.5-6) 3.94 7.95 -29.44 2 4 0 43 299.394 6 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-(N-isopropylanilino)acetamide N-(2-ethoxyphenyl)-2-(N-isopropy…

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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) 4.27 8.89 -9.37 1 4 0 42 312.413 7 ↓
Lo Low (pH 4.5-6) 4.27 9.03 -25.65 2 4 0 43 313.421 7 ↓

Analogs

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Popular Name: N-(3-cyanophenyl)-2-(N-isopropylanilino)acetamide N-(3-cyanophenyl)-2-(N-isopropyl…

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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) 3.62 8.98 -14.81 1 4 0 56 293.37 5 ↓
Lo Low (pH 4.5-6) 3.62 9.05 -63.87 2 4 0 57 294.378 5 ↓

Parameters Provided:

ring.id = 3607
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 = 3607 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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