UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16625945
16625945
16625948
16625948

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Popular Name: N-(3-acetylphenyl)-2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylmethyl-methyl-amino]-acetamide N-(3-acetylphenyl)-2-[[4-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) 4.06 2.12 -63.08 3 6 1 79 442.845 8 ↓

Analogs

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Popular Name: 2-[[2-[[2-(2-methylanilino)-2-oxo-ethyl]-propyl-amino]acetyl]amino]benzamide 2-[[2-[[2-(2-methylanilino)-2-ox…

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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 6.55 -41.58 5 7 1 106 383.472 9 ↓
Hi High (pH 8-9.5) 2.55 5.81 -33.75 4 7 0 112 382.464 9 ↓

Analogs

15442275
15442275

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Popular Name: 2-[[2-[[2-(2,6-difluoroanilino)-2-oxo-ethyl]-ethyl-amino]acetyl]amino]benzamide 2-[[2-[[2-(2,6-difluoroanilino)-…

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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) 2.06 5.12 -40.08 5 7 1 106 391.398 8 ↓
Hi High (pH 8-9.5) 1.88 2.34 -66.57 3 7 -1 111 389.382 8 ↓
Hi High (pH 8-9.5) 1.88 1.94 -58.26 3 7 -1 111 389.382 8 ↓

Analogs

25944458
25944458

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Popular Name: 2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxo-ethyl]amino]acetyl]amino]benzamide 2-[[2-[ethyl-[2-(3-methoxyanilin…

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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) 1.86 4.27 -41.78 5 8 1 115 385.444 9 ↓
Hi High (pH 8-9.5) 1.68 3.5 -35.25 4 8 0 121 384.436 9 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(4-fluorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[4-(isopropylsulfamoyl)phenyl]propan (2R)-2-[[2-[(4-fluorophenyl)amin…

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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) 2.55 5.1 -57.77 4 8 1 109 451.544 9 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(4-fluorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[4-(isopropylsulfamoyl)phenyl]propan (2S)-2-[[2-[(4-fluorophenyl)amin…

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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) 2.55 5.13 -56.49 4 8 1 109 451.544 9 ↓

Analogs

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Popular Name: 2-[[2-[(5-chloro-2-nitro-phenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[4-chloro-3-(trifluoromethyl)phe 2-[[2-[(5-chloro-2-nitro-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) 4.75 10.02 -59.44 3 8 1 108 480.25 8 ↓

Analogs

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Popular Name: 2-[[2-(ethyl-(o-tolyl)amino)-2-oxo-ethyl]-propyl-amino]-N-(o-tolyl)acetamide 2-[[2-(ethyl-(o-tolyl)amino)-2-o…

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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) 4.62 12.7 -53.77 2 5 1 54 382.528 9 ↓
Hi High (pH 8-9.5) 4.62 10.54 -21.85 1 5 0 53 381.52 9 ↓

Analogs

16625484
16625484

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Popular Name: 2-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-methyl-amino]-N-(2,4-dimethylphenyl)a 2-[[2-[[4-chloro-3-(trifluoromet…

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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) 5.01 9.97 -62.13 3 5 1 63 428.862 7 ↓
Hi High (pH 8-9.5) 5.01 7.72 -22.52 2 5 0 61 427.854 7 ↓

Analogs

16625976
16625976

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-[(2-nitrophenyl)amino]-2-oxo-ethyl]amino]acetami N-[4-chloro-3-(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) 4.10 9.55 -61.06 3 8 1 108 445.805 8 ↓
Hi High (pH 8-9.5) 4.10 7.28 -19.62 2 8 0 107 444.797 8 ↓

Analogs

16625616
16625616
16625619
16625619

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Popular Name: (2R)-2-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-methyl-amino]-N-(3-nitrophenyl)p (2R)-2-[[2-[[4-chloro-3-(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) 4.08 9.54 -64.64 3 8 1 108 459.832 8 ↓
Hi High (pH 8-9.5) 4.08 7.33 -22.08 2 8 0 107 458.824 8 ↓

Analogs

16625616
16625616
16625619
16625619

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Popular Name: (2S)-2-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-methyl-amino]-N-(3-nitrophenyl)p (2S)-2-[[2-[[4-chloro-3-(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) 4.08 9.55 -65.23 3 8 1 108 459.832 8 ↓
Hi High (pH 8-9.5) 4.08 7.37 -22.62 2 8 0 107 458.824 8 ↓

Analogs

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Popular Name: (2R)-2-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-methyl-amino]-N-(2,3,4-trifluoro (2R)-2-[[2-[[4-chloro-3-(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) 4.50 9.03 -55.68 3 5 1 63 468.805 7 ↓
Hi High (pH 8-9.5) 4.50 6.84 -15.25 2 5 0 61 467.797 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-methyl-amino]-N-(2,3,4-trifluoro (2S)-2-[[2-[[4-chloro-3-(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) 4.50 9.04 -55.81 3 5 1 63 468.805 7 ↓
Hi High (pH 8-9.5) 4.50 6.85 -15.61 2 5 0 61 467.797 7 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[4-(difluoromethoxy)phenyl]propanamid (2R)-2-[[2-[(2-bromophenyl)amino…

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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) 4.02 7.77 -53.4 3 6 1 72 457.295 8 ↓
Hi High (pH 8-9.5) 4.02 5.56 -23.27 2 6 0 71 456.287 8 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[4-(difluoromethoxy)phenyl]propanamid (2S)-2-[[2-[(2-bromophenyl)amino…

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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) 4.02 7.8 -53.73 3 6 1 72 457.295 8 ↓
Hi High (pH 8-9.5) 4.02 5.62 -23.85 2 6 0 71 456.287 8 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamid 2-[[2-[(2-bromophenyl)amino]-2-o…

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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) 4.39 9.26 -53.64 3 5 1 63 459.336 8 ↓
Hi High (pH 8-9.5) 4.39 7.02 -18.73 2 5 0 61 458.328 8 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[2-(trifluoromethyl)phenyl]propanamid (2R)-2-[[2-[(2-bromophenyl)amino…

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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) 4.26 9.47 -40.69 3 5 1 63 459.286 7 ↓
Hi High (pH 8-9.5) 4.26 7.31 -12.61 2 5 0 61 458.278 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[2-(trifluoromethyl)phenyl]propanamid (2S)-2-[[2-[(2-bromophenyl)amino…

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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) 4.26 9.51 -45.05 3 5 1 63 459.286 7 ↓
Hi High (pH 8-9.5) 4.26 7.33 -15.49 2 5 0 61 458.278 7 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2-isopropylphenyl)propanamide (2R)-2-[[2-[(2-bromophenyl)amino…

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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 10.33 -43.02 3 5 1 63 433.37 7 ↓
Hi High (pH 8-9.5) 4.40 8.13 -18.03 2 5 0 61 432.362 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2-isopropylphenyl)propanamide (2S)-2-[[2-[(2-bromophenyl)amino…

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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 10.38 -41.65 3 5 1 63 433.37 7 ↓
Hi High (pH 8-9.5) 4.40 8.16 -18.32 2 5 0 61 432.362 7 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(3-chloro-4-fluoro-phenyl)propanamide (2R)-2-[[2-[(2-bromophenyl)amino…

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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 8.77 -53.27 3 5 1 63 443.724 6 ↓
Hi High (pH 8-9.5) 4.18 6.54 -18.15 2 5 0 61 442.716 6 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(3-chloro-4-fluoro-phenyl)propanamide (2S)-2-[[2-[(2-bromophenyl)amino…

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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 8.81 -55.18 3 5 1 63 443.724 6 ↓
Hi High (pH 8-9.5) 4.18 6.63 -22.47 2 5 0 61 442.716 6 ↓

Analogs

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Popular Name: (2R)-N-(4-bromo-2-fluoro-phenyl)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]propanamide (2R)-N-(4-bromo-2-fluoro-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) 4.31 8.94 -48.46 3 5 1 63 488.175 6 ↓
Hi High (pH 8-9.5) 4.31 6.71 -15.1 2 5 0 61 487.167 6 ↓

Analogs

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Popular Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]propanamide (2S)-N-(4-bromo-2-fluoro-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) 4.31 8.96 -48.7 3 5 1 63 488.175 6 ↓
Hi High (pH 8-9.5) 4.31 6.78 -15.23 2 5 0 61 487.167 6 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2-ethoxyphenyl)propanamide (2R)-2-[[2-[(2-bromophenyl)amino…

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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) 3.79 8.58 -39.79 3 6 1 72 435.342 8 ↓
Hi High (pH 8-9.5) 3.79 6.43 -13.38 2 6 0 71 434.334 8 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2-ethoxyphenyl)propanamide (2S)-2-[[2-[(2-bromophenyl)amino…

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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) 3.79 8.61 -45.83 3 6 1 72 435.342 8 ↓
Hi High (pH 8-9.5) 3.79 6.42 -17.6 2 6 0 71 434.334 8 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-2-[[2-[(5-chloro-2,4-dimethoxy-phenyl)amino]-2-oxo-ethyl]-methyl-amino]acetamide N-(2-bromophenyl)-2-[[2-[(5-chlo…

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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) 4.09 7.17 -54.49 3 7 1 81 471.759 8 ↓
Hi High (pH 8-9.5) 4.09 4.91 -21.44 2 7 0 80 470.751 8 ↓

Analogs

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Popular Name: 2-[[2-[(4-bromo-2-chloro-phenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2-bromophenyl)acetamide 2-[[2-[(4-bromo-2-chloro-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) 4.86 9.1 -52.06 3 5 1 63 490.603 6 ↓
Hi High (pH 8-9.5) 4.86 6.84 -15.6 2 5 0 61 489.595 6 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2-propoxyphenyl)acetamide 2-[[2-[(2-bromophenyl)amino]-2-o…

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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) 4.33 8.99 -49.58 3 6 1 72 435.342 9 ↓
Hi High (pH 8-9.5) 4.33 6.74 -17.61 2 6 0 71 434.334 9 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-2-[[2-[(4-chloro-2,5-dimethoxy-phenyl)amino]-2-oxo-ethyl]-methyl-amino]acetamide N-(2-bromophenyl)-2-[[2-[(4-chlo…

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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) 4.09 7.15 -55.11 3 7 1 81 471.759 8 ↓
Hi High (pH 8-9.5) 4.09 4.9 -18.87 2 7 0 80 470.751 8 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2,5-diethoxyphenyl)acetamide 2-[[2-[(2-bromophenyl)amino]-2-o…

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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) 4.24 8.42 -51.49 3 7 1 81 465.368 10 ↓
Hi High (pH 8-9.5) 4.24 6.17 -21.03 2 7 0 80 464.36 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) 4.41 10.69 -58.86 3 7 1 89 475.363 10 ↓
Hi High (pH 8-9.5) 4.41 8.44 -22.69 2 7 0 88 474.355 10 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-2-[methyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxo-ethyl]amino]acetamide N-(2-bromophenyl)-2-[methyl-[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) 3.28 10.3 -60.8 2 8 1 100 436.286 7 ↓
Hi High (pH 8-9.5) 3.28 8.04 -21.4 1 8 0 98 435.278 7 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-ethyl-N-(o-tolyl)acetamide 2-[[2-[(2-bromophenyl)amino]-2-o…

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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 11.41 -51.09 2 5 1 54 419.343 7 ↓
Hi High (pH 8-9.5) 4.10 9.17 -17.79 1 5 0 53 418.335 7 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide 2-[[2-[(2-bromophenyl)amino]-2-o…

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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) 3.21 11.15 -63.11 2 7 1 87 474.379 10 ↓
Hi High (pH 8-9.5) 3.21 8.89 -22.9 1 7 0 86 473.371 10 ↓

Analogs

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Popular Name: 2-[[2-[(2-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(2,3-dimethylphenyl)acetamide 2-[[2-[(2-chloro-4-fluoro-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) 4.26 9.31 -56.89 3 5 1 63 378.855 6 ↓
Hi High (pH 8-9.5) 4.26 7.05 -19.89 2 5 0 61 377.847 6 ↓

Analogs

21792395
21792395
21792399
21792399

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Popular Name: (2R)-2-[[2-[(2,3-dimethylphenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[4-(trifluoromethoxy)phenyl]prop (2R)-2-[[2-[(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) 4.42 8.74 -56.59 3 6 1 72 424.443 8 ↓
Hi High (pH 8-9.5) 4.42 6.54 -24.13 2 6 0 71 423.435 8 ↓

Analogs

21792395
21792395
21792399
21792399

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Popular Name: (2S)-2-[[2-[(2,3-dimethylphenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[4-(trifluoromethoxy)phenyl]prop (2S)-2-[[2-[(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) 4.42 8.81 -56.9 3 6 1 72 424.443 8 ↓
Hi High (pH 8-9.5) 4.42 6.62 -24.51 2 6 0 71 423.435 8 ↓

Analogs

8169999
8169999

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Popular Name: 2-[[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-methyl-amino]-N-(2,6-dimethylphenyl)acetamide 2-[[2-(5-chloro-2-cyano-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) 2.91 7.36 -17.34 2 6 0 85 384.867 6 ↓

Analogs

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Popular Name: 2-[[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-methyl-amino]-N-(4-chlorophenyl)acetamide 2-[[2-(5-chloro-2-cyano-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) 3.72 6.37 -17.7 2 6 0 85 391.258 6 ↓

Analogs

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Popular Name: 2-[[2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]acetyl]amino]benzamide 2-[[2-[[2-(2-ethylanilino)-2-oxo…

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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) 2.32 5.97 -48.41 5 7 1 106 369.445 8 ↓
Hi High (pH 8-9.5) 2.14 5.3 -41.93 4 7 0 112 368.437 8 ↓
Hi High (pH 8-9.5) 2.14 3 -60.03 3 7 -1 111 367.429 8 ↓

Analogs

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Popular Name: 2-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]amino]acetyl]amino]benzamide 2-[[2-[ethyl-[2-(4-methoxyanilin…

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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) 1.89 4.24 -45.11 5 8 1 115 385.444 9 ↓
Hi High (pH 8-9.5) 1.71 3.59 -47.35 4 8 0 121 384.436 9 ↓

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-(methyl-phenyl-amino)-2-oxo-ethyl]amino]acetamid N-[4-chloro-3-(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) 4.06 10.17 -58.05 2 5 1 54 414.835 7 ↓

Analogs

3540337
3540337

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Popular Name: 2-[[2-[(2,5-dimethylphenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(4-ethoxyphenyl)acetamide 2-[[2-[(2,5-dimethylphenyl)amino…

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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 8.85 -55.06 3 6 1 72 370.473 8 ↓

Analogs

3541160
3541160
16590209
16590209

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Popular Name: [2-keto-2-(p-phenetidino)ethyl]-[2-keto-2-(2,3,4-trifluoroanilino)ethyl]-methyl-ammonium [2-keto-2-(p-phenetidino)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) 3.46 1.97 -59.08 3 6 1 71 396.389 8 ↓

Analogs

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Popular Name: [2-(4-carbamoylanilino)-2-keto-ethyl]-[2-keto-2-(o-toluidino)ethyl]-propyl-ammonium [2-(4-carbamoylanilino)-2-keto-e…

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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 6.14 -57.55 5 7 1 106 383.472 9 ↓

Analogs

3541286
3541286

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Popular Name: [2-(4-chloroanilino)-2-keto-ethyl]-[2-(2,6-diethylanilino)-2-keto-ethyl]-methyl-ammonium [2-(4-chloroanilino)-2-keto-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) 4.16 0.9 -55.26 3 5 1 62 388.919 8 ↓

Analogs

3403802
3403802

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Popular Name: [(1S)-2-(2,3-dichloroanilino)-2-keto-1-methyl-ethyl]-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-a [(1S)-2-(2,3-dichloroanilino)-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) 3.77 0.72 -47.88 3 5 1 62 409.337 6 ↓

Analogs

3403795
3403795

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Popular Name: [(1R)-2-(2,3-dichloroanilino)-2-keto-1-methyl-ethyl]-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-a [(1R)-2-(2,3-dichloroanilino)-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) 3.77 0.64 -42.47 3 5 1 62 409.337 6 ↓

Parameters Provided:

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