UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 1.83 5.15 -42.73 5 7 1 106 387.435 9 ↓
Hi High (pH 8-9.5) 1.83 3.16 -16.04 4 7 0 105 386.427 9 ↓
Hi High (pH 8-9.5) 1.65 4.48 -43.74 4 7 0 112 386.427 9 ↓

Analogs

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Popular Name: 2-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-methyl-amino]-N-[(4-fluorophenyl)meth 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) 4.18 8.67 -57.43 3 5 1 63 432.825 8 ↓
Hi High (pH 8-9.5) 4.18 6.47 -17.09 2 5 0 61 431.817 8 ↓

Analogs

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Popular Name: 2-[[2-[[(1S)-2-methyl-1-phenyl-propyl]amino]-2-oxo-ethyl]-propyl-amino]-N-(o-tolyl)acetamide 2-[[2-[[(1S)-2-methyl-1-phenyl-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) 5.10 11.7 -48.15 3 5 1 63 396.555 10 ↓
Hi High (pH 8-9.5) 5.10 9.69 -17.46 2 5 0 61 395.547 10 ↓

Analogs

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Popular Name: 2-[[2-[[(1R)-2-methyl-1-phenyl-propyl]amino]-2-oxo-ethyl]-propyl-amino]-N-(o-tolyl)acetamide 2-[[2-[[(1R)-2-methyl-1-phenyl-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) 5.10 11.58 -48.48 3 5 1 63 396.555 10 ↓
Hi High (pH 8-9.5) 5.10 9.56 -17.34 2 5 0 61 395.547 10 ↓

Analogs

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Popular Name: 2-[[2-[[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]amino]-2-oxo-ethyl]-propyl-amino]-N-(o-tolyl)acetami 2-[[2-[[(1S)-1-(4-fluorophenyl)-…

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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) 5.27 11.77 -51.41 3 5 1 63 414.545 10 ↓
Hi High (pH 8-9.5) 5.27 9.76 -18.39 2 5 0 61 413.537 10 ↓

Analogs

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Popular Name: 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methyl-propyl]amino]-2-oxo-ethyl]-propyl-amino]-N-(o-tolyl)acetami 2-[[2-[[(1R)-1-(4-fluorophenyl)-…

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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) 5.27 11.46 -51.42 3 5 1 63 414.545 10 ↓
Hi High (pH 8-9.5) 5.27 9.43 -17.47 2 5 0 61 413.537 10 ↓

Analogs

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Popular Name: 2-[[2-(o-tolylamino)-2-oxo-ethyl]-propyl-amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide 2-[[2-(o-tolylamino)-2-oxo-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) 4.72 9.04 -50.99 3 6 1 72 438.47 11 ↓
Hi High (pH 8-9.5) 4.72 6.93 -21.36 2 6 0 71 437.462 11 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(3-fluorophenyl)methyl]-N-methyl-pro (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) 3.49 10.26 -46.5 2 5 1 54 437.333 7 ↓
Hi High (pH 8-9.5) 3.49 8.04 -21.22 1 5 0 53 436.325 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(3-fluorophenyl)methyl]-N-methyl-pro (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) 3.49 10.29 -46.66 2 5 1 54 437.333 7 ↓
Hi High (pH 8-9.5) 3.49 8.1 -20.84 1 5 0 53 436.325 7 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(2,4,5-trimethoxyphenyl)methyl]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) 2.91 6.58 -52.61 3 8 1 90 481.367 10 ↓
Hi High (pH 8-9.5) 2.91 4.31 -21.53 2 8 0 89 480.359 10 ↓

Analogs

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Popular Name: N-benzyl-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-tert-butyl-acetamide N-benzyl-2-[[2-[(2-bromophenyl)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) 4.21 11.24 -44.59 2 5 1 54 447.397 8 ↓
Hi High (pH 8-9.5) 4.21 8.96 -16.48 1 5 0 53 446.389 8 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(2-chlorophenyl)methyl]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) 3.74 8.66 -39.11 3 5 1 63 439.761 7 ↓
Hi High (pH 8-9.5) 3.74 6.52 -13.85 2 5 0 61 438.753 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(2-chlorophenyl)methyl]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) 3.74 8.78 -44.23 3 5 1 63 439.761 7 ↓
Hi High (pH 8-9.5) 3.74 6.6 -17.06 2 5 0 61 438.753 7 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(3,4-dimethoxyphenyl)methyl]propanam (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) 2.76 7.56 -49.84 3 7 1 81 465.368 9 ↓
Hi High (pH 8-9.5) 2.76 5.34 -20.05 2 7 0 80 464.36 9 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(3,4-dimethoxyphenyl)methyl]propanam (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) 2.76 7.59 -49.98 3 7 1 81 465.368 9 ↓
Hi High (pH 8-9.5) 2.76 5.41 -20.06 2 7 0 80 464.36 9 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(p-tolylmethyl)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) 3.56 8.99 -44.6 3 5 1 63 419.343 7 ↓
Hi High (pH 8-9.5) 3.56 6.76 -16.73 2 5 0 61 418.335 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(p-tolylmethyl)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) 3.56 9.03 -44.76 3 5 1 63 419.343 7 ↓
Hi High (pH 8-9.5) 3.56 6.83 -16.7 2 5 0 61 418.335 7 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(1S)-1-(4-methoxyphenyl)-2-methyl-propyl] 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) 4.64 9.22 -52.75 3 6 1 72 463.396 9 ↓
Hi High (pH 8-9.5) 4.64 6.97 -18.72 2 6 0 71 462.388 9 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl] 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) 4.64 9.23 -52.88 3 6 1 72 463.396 9 ↓
Hi High (pH 8-9.5) 4.64 6.98 -18.78 2 6 0 71 462.388 9 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetam 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) 4.20 7.83 -48.4 3 6 1 72 475.285 9 ↓
Hi High (pH 8-9.5) 4.20 5.56 -18.3 2 6 0 71 474.277 9 ↓

Analogs

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Popular Name: [2-[(4-chlorobenzyl)amino]-2-keto-ethyl]-[2-(2-chloro-5-nitro-anilino)-2-keto-ethyl]-ethyl-ammonium [2-[(4-chlorobenzyl)amino]-2-ket…

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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 9.74 -50.83 3 8 1 108 440.307 9 ↓

Analogs

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Popular Name: [2-(2,5-dichloroanilino)-2-keto-ethyl]-ethyl-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]ammonium [2-(2,5-dichloroanilino)-2-keto-…

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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 -0.29 -45.51 3 5 1 62 413.3 8 ↓

Analogs

8151938
8151938

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]amino]acetamide N-[(4-chlorophenyl)methyl]-2-[et…

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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 9.47 -45.94 3 5 1 63 428.862 9 ↓

Analogs

6559710
6559710

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Popular Name: 2-[ethyl-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]amino]-N-(3-methoxyphenyl)acetamide 2-[ethyl-[2-[[(1S)-1-(4-fluoroph…

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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 8.02 -46.5 3 6 1 72 388.463 9 ↓
Hi High (pH 8-9.5) 3.65 6.01 -19.58 2 6 0 71 387.455 9 ↓

Analogs

6559710
6559710

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Popular Name: 2-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]amino]-N-(3-methoxyphenyl)acetamide 2-[ethyl-[2-[[(1R)-1-(4-fluoroph…

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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 8.02 -47.5 3 6 1 72 388.463 9 ↓
Hi High (pH 8-9.5) 3.65 6.01 -19.22 2 6 0 71 387.455 9 ↓

Analogs

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Popular Name: 2-[ethyl-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]amino]-N-(2-methoxyphenyl)acetamide 2-[ethyl-[2-[[(1S)-1-(4-fluoroph…

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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 7.99 -48.63 3 6 1 72 388.463 9 ↓

Analogs

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Popular Name: 2-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]amino]-N-(2-methoxyphenyl)acetamide 2-[ethyl-[2-[[(1R)-1-(4-fluoroph…

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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 8.26 -46.15 3 6 1 72 388.463 9 ↓

Analogs

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Popular Name: 2-[[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]-ethyl-amino]-N-(2-methoxyphenyl)acetamide 2-[[2-[[(1S)-1-(4-bromophenyl)et…

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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 8.55 -47.82 3 6 1 72 449.369 9 ↓

Analogs

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Popular Name: 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]-ethyl-amino]-N-(2-methoxyphenyl)acetamide 2-[[2-[[(1R)-1-(4-bromophenyl)et…

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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 8.82 -45.3 3 6 1 72 449.369 9 ↓

Analogs

16431642
16431642
15300899
15300899
15300900
15300900

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Popular Name: 2-[ethyl-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]amino]-N-[2-(trifluoromethyl)phenyl]ac 2-[ethyl-[2-[[(1S)-1-(4-fluoroph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.47 9.81 -48.19 3 5 1 63 426.434 9 ↓

Analogs

16431642
16431642
15300899
15300899
15300900
15300900

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Popular Name: 2-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]amino]-N-[2-(trifluoromethyl)phenyl]ac 2-[ethyl-[2-[[(1R)-1-(4-fluoroph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.47 10.09 -45.85 3 5 1 63 426.434 9 ↓

Analogs

22789783
22789783

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Popular Name: 2-[[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide 2-[[2-[(2-chlorophenyl)amino]-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) 3.87 8.72 -51.25 3 5 1 63 378.855 7 ↓
Hi High (pH 8-9.5) 3.87 6.51 -16.05 2 5 0 61 377.847 7 ↓
Hi High (pH 8-9.5) 3.69 7.87 -39.27 2 5 0 69 377.847 7 ↓

Analogs

22789783
22789783

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Popular Name: 2-[[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide 2-[[2-[(2-chlorophenyl)amino]-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) 3.87 8.72 -51.25 3 5 1 63 378.855 7 ↓
Hi High (pH 8-9.5) 3.87 6.51 -16.12 2 5 0 61 377.847 7 ↓
Hi High (pH 8-9.5) 3.69 7.87 -39.16 2 5 0 69 377.847 7 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propan (2R)-2-[[2-[(2-chlorophenyl)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) 3.70 9.08 -44.51 3 5 1 63 392.882 7 ↓
Hi High (pH 8-9.5) 3.70 6.87 -15.6 2 5 0 61 391.874 7 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]propan (2R)-2-[[2-[(2-chlorophenyl)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) 3.70 9.06 -47.08 3 5 1 63 392.882 7 ↓
Hi High (pH 8-9.5) 3.70 6.87 -12.77 2 5 0 61 391.874 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propan (2S)-2-[[2-[(2-chlorophenyl)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) 3.70 9.17 -46.55 3 5 1 63 392.882 7 ↓
Hi High (pH 8-9.5) 3.70 6.87 -12.86 2 5 0 61 391.874 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]propan (2S)-2-[[2-[(2-chlorophenyl)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) 3.70 9.09 -44.26 3 5 1 63 392.882 7 ↓
Hi High (pH 8-9.5) 3.70 6.93 -15.67 2 5 0 61 391.874 7 ↓

Analogs

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Popular Name: 2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]-propyl-amino]-N-(o-tolyl)acetamide 2-[[2-[[(1S)-1-(4-fluorophenyl)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) 4.52 10.37 -46.96 3 5 1 63 386.491 9 ↓
Hi High (pH 8-9.5) 4.52 8.33 -15.7 2 5 0 61 385.483 9 ↓

Analogs

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Popular Name: 2-[[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]-propyl-amino]-N-(o-tolyl)acetamide 2-[[2-[[(1R)-1-(4-fluorophenyl)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) 4.52 10.37 -47.9 3 5 1 63 386.491 9 ↓
Hi High (pH 8-9.5) 4.52 8.33 -15.25 2 5 0 61 385.483 9 ↓

Analogs

3397962
3397962
13057936
13057936

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[[2-(o-tolylamino)-2-oxo-ethyl]-propyl-amino]acetamide N-[(2-chlorophenyl)methyl]-2-[[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) 4.43 9.63 -47.08 3 5 1 63 388.919 9 ↓

Analogs

8749850
8749850
8749853
8749853

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Popular Name: 2-[[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]-propyl-amino]-N-(2,3,4-trifluorophenyl)aceta 2-[[2-[[(1S)-1-(4-bromophenyl)et…

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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 10.37 -52.84 3 5 1 63 487.34 9 ↓

Analogs

8749850
8749850
8749853
8749853

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Popular Name: 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]-propyl-amino]-N-(2,3,4-trifluorophenyl)aceta 2-[[2-[[(1R)-1-(4-bromophenyl)et…

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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 10.37 -53.39 3 5 1 63 487.34 9 ↓

Analogs

9053539
9053539
9053541
9053541
9053544
9053544

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Popular Name: (2S)-2-[[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-methyl-amino]-N-[(1R)-1-phenylethyl]propanamide (2S)-2-[[2-(5-chloro-2-methoxy-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) 3.57 8.38 -46.02 3 6 1 72 404.918 8 ↓
Hi High (pH 8-9.5) 3.57 6.09 -14.68 2 6 0 71 403.91 8 ↓

Parameters Provided:

ring.id = 32782
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 = 32782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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