UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15368757
15368757
38031118
38031118

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Popular Name: 4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-2-one 4-[(5-bromo-2-methoxy-phenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 -1.83 -44.58 2 4 1 42 300.176 3 ↓

Analogs

7843999
7843999
37798280
37798280
37804913
37804913

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Popular Name: 4-[(4-tert-butylphenyl)methyl]piperazin-2-one 4-[(4-tert-butylphenyl)methyl]pi…

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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 6.57 -46.79 2 3 1 34 247.362 3 ↓
Mid Mid (pH 6-8) 2.92 4.3 -8.28 1 3 0 32 246.354 3 ↓

Analogs

16422697
16422697
38031337
38031337

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Popular Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-2-one 4-[(5-chloro-2-methoxy-phenyl)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) 1.87 -1.22 -44.54 2 4 1 42 255.725 3 ↓

Analogs

39380659
39380659
39380661
39380661

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Popular Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-methylsulfanylpropyl)ac 2-[(2S)-1-[(4-methoxy-2,3-dimeth…

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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) 2.90 -2.41 -46.41 3 6 1 72 394.561 9 ↓

Analogs

39380659
39380659
39380661
39380661

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Popular Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-methylsulfanylpropyl)ac 2-[(2R)-1-[(4-methoxy-2,3-dimeth…

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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) 2.90 -2.49 -46.48 3 6 1 72 394.561 9 ↓

Analogs

11815016
11815016

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Popular Name: N,N-diallyl-2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N,N-diallyl-2-[(2S)-1-[(2,3-dime…

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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) 2.65 1.92 -46.88 2 7 1 72 388.488 10 ↓

Analogs

11815015
11815015

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Popular Name: N,N-diallyl-2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N,N-diallyl-2-[(2R)-1-[(2,3-dime…

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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) 2.65 1.21 -37.18 2 7 1 72 388.488 10 ↓

Analogs

11815890
11815890

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Popular Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]aceta N-(2-allyl-2-hydroxy-pent-4-enyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 -3.29 -44.66 4 8 1 101 432.541 12 ↓

Analogs

11815888
11815888

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Popular Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]aceta N-(2-allyl-2-hydroxy-pent-4-enyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 -3.08 -48.98 4 8 1 101 432.541 12 ↓

Analogs

11817216
11817216
55327991
55327991
55327993
55327993

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Popular Name: N-isobutyl-N-methyl-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide N-isobutyl-N-methyl-2-[(2S)-3-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) 3.53 1.91 -49.79 2 5 1 54 386.438 7 ↓

Analogs

55327991
55327991
55327993
55327993
11817215
11817215

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Popular Name: N-isobutyl-N-methyl-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide N-isobutyl-N-methyl-2-[(2R)-3-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) 3.53 1.98 -47.73 2 5 1 54 386.438 7 ↓

Analogs

11818075
11818075
20295355
20295355
20295359
20295359

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Popular Name: N-butyl-2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-acetamide N-butyl-2-[(2S)-1-[(3,4-dimethox…

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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) 2.63 -0.16 -49.09 2 7 1 72 378.493 9 ↓

Analogs

20295355
20295355
20295359
20295359
11818074
11818074

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Popular Name: N-butyl-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-acetamide N-butyl-2-[(2R)-1-[(3,4-dimethox…

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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) 2.63 -0.03 -48.85 2 7 1 72 378.493 9 ↓

Analogs

11818085
11818085

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Popular Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-methylsulfanylpropyl)acetamide 2-[(2S)-1-[(3,5-dimethoxyphenyl)…

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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) 2.13 -2.92 -45.57 3 7 1 81 396.533 10 ↓

Analogs

11818084
11818084

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Popular Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-methylsulfanylpropyl)acetamide 2-[(2R)-1-[(3,5-dimethoxyphenyl)…

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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) 2.13 -2.92 -45.66 3 7 1 81 396.533 10 ↓

Analogs

11818496
11818496

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Popular Name: N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide N-ethyl-2-[(2S)-1-[(4-fluorophen…

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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) 3.27 1.09 -47.5 2 5 1 54 348.442 7 ↓

Analogs

11818495
11818495

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Popular Name: N-ethyl-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide N-ethyl-2-[(2R)-1-[(4-fluorophen…

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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) 3.27 0.93 -46.23 2 5 1 54 348.442 7 ↓

Analogs

11840287
11840287

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Popular Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-hydroxy-2,2-dimethyl-propyl)aceta 2-[(2S)-1-[(3,4-dimethoxyphenyl)…

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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) 1.47 -3.74 -51.05 4 8 1 101 394.492 9 ↓

Analogs

11840285
11840285

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Popular Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-hydroxy-2,2-dimethyl-propyl)aceta 2-[(2R)-1-[(3,4-dimethoxyphenyl)…

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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) 1.47 -3.87 -50.98 4 8 1 101 394.492 9 ↓

Analogs

11840417
11840417

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Popular Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-methoxypropyl)acetamide 2-[(2S)-1-[(4-methoxy-3-methyl-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) 1.98 -2.94 -45.8 3 7 1 81 364.466 9 ↓

Analogs

11840415
11840415

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Popular Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-methoxypropyl)acetamide 2-[(2R)-1-[(4-methoxy-3-methyl-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) 1.98 -2.98 -46.61 3 7 1 81 364.466 9 ↓

Analogs

11840558
11840558

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Popular Name: N-ethyl-N-(2-methylprop-2-enyl)-2-[(2S)-1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetamide N-ethyl-N-(2-methylprop-2-enyl)-…

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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 0.55 -41.87 2 5 1 54 344.479 7 ↓

Analogs

11840556
11840556

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Popular Name: N-ethyl-N-(2-methylprop-2-enyl)-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetamide N-ethyl-N-(2-methylprop-2-enyl)-…

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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 0.52 -39.07 2 5 1 54 344.479 7 ↓

Analogs

11840994
11840994

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Popular Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-isopropoxypropyl)acetamide 2-[(2S)-1-[(2-ethoxyphenyl)methy…

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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 -2.49 -45.74 3 7 1 81 392.52 11 ↓

Analogs

11840992
11840992

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Popular Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-isopropoxypropyl)acetamide 2-[(2R)-1-[(2-ethoxyphenyl)methy…

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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 -2.86 -37.61 3 7 1 81 392.52 11 ↓

Analogs

11841779
11841779
55343990
55343990
55343996
55343996

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Popular Name: 2-[(2S)-1-[(3,4-difluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-isopropoxypropyl)acetamide 2-[(2S)-1-[(3,4-difluorophenyl)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) 2.55 -1.65 -54.56 3 6 1 72 384.447 9 ↓

Analogs

55343990
55343990
55343996
55343996
11841777
11841777

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Popular Name: 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-isopropoxypropyl)acetamide 2-[(2R)-1-[(3,4-difluorophenyl)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) 2.55 -1.55 -54.85 3 6 1 72 384.447 9 ↓

Analogs

11842376
11842376
55036945
55036945
55036947
55036947

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Popular Name: N-(3-methylsulfanylpropyl)-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetami N-(3-methylsulfanylpropyl)-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) 2.96 -0.92 -50.87 3 5 1 63 404.478 9 ↓

Analogs

55036945
55036945
55036947
55036947
11842375
11842375

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Popular Name: N-(3-methylsulfanylpropyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetami N-(3-methylsulfanylpropyl)-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) 2.96 -0.8 -50.53 3 5 1 63 404.478 9 ↓

Analogs

11844586
11844586

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Popular Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-methoxypropyl)acetamide 2-[(2R)-1-[(4-fluorophenyl)methy…

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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) 1.71 -2.66 -49.46 3 6 1 72 338.403 8 ↓

Analogs

11844585
11844585

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Popular Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-(3-methoxypropyl)acetamide 2-[(2S)-1-[(4-fluorophenyl)methy…

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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) 1.71 -2.52 -49.47 3 6 1 72 338.403 8 ↓

Analogs

12000199
12000199
55054743
55054743
55054745
55054745

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Popular Name: 2-[(2S)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-methylsulfanylethyl)acetamid 2-[(2S)-1-[(2-chloro-4-fluoro-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 -2.73 -44.29 3 5 1 63 374.889 7 ↓

Analogs

55054743
55054743
55054745
55054745
12000196
12000196

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Popular Name: 2-[(2R)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-methylsulfanylethyl)acetamid 2-[(2R)-1-[(2-chloro-4-fluoro-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 -2.75 -43.34 3 5 1 63 374.889 7 ↓

Analogs

12000831
12000831

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Popular Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide 2-[(2S)-1-[(3-methoxyphenyl)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) 2.52 -1.91 -43.87 3 6 1 72 332.424 7 ↓

Analogs

12000827
12000827

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Popular Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide 2-[(2R)-1-[(3-methoxyphenyl)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) 2.52 -2.05 -44.12 3 6 1 72 332.424 7 ↓

Analogs

12002426
12002426

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Popular Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide 2-[(2S)-1-[(3-methoxyphenyl)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) 1.85 -3.06 -46.97 3 6 1 72 352.48 8 ↓

Analogs

12002420
12002420

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Popular Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide 2-[(2R)-1-[(3-methoxyphenyl)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) 1.85 -3.19 -47.07 3 6 1 72 352.48 8 ↓

Analogs

12004993
12004993

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Popular Name: 2-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-isopropoxyethyl)acetamide 2-[(2S)-1-[(2,4-dimethoxyphenyl)…

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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 -2.99 -41.74 3 8 1 90 394.492 10 ↓

Analogs

12004990
12004990

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Popular Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-isopropoxyethyl)acetamide 2-[(2R)-1-[(2,4-dimethoxyphenyl)…

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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 -2.89 -41.54 3 8 1 90 394.492 10 ↓

Analogs

12023217
12023217

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Popular Name: N-(3-ethoxypropyl)-2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-(3-ethoxypropyl)-2-[(2S)-1-[(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) 2.08 -2.81 -41.61 3 7 1 81 382.456 10 ↓

Analogs

12023208
12023208

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Popular Name: N-(3-ethoxypropyl)-2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-(3-ethoxypropyl)-2-[(2R)-1-[(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) 2.08 -2.76 -43.59 3 7 1 81 382.456 10 ↓

Analogs

12026287
12026287
37807729
37807729
37807730
37807730
55060829
55060829
55060830
55060830

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Popular Name: N-butyl-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-acetamide N-butyl-2-[(2S)-1-[(3-fluorophen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 0.34 -48.06 2 5 1 54 336.431 7 ↓

Analogs

55060829
55060829
55060830
55060830
12026283
12026283

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Popular Name: N-butyl-2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-acetamide N-butyl-2-[(2R)-1-[(3-fluorophen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 0.37 -47.19 2 5 1 54 336.431 7 ↓

Analogs

12226815
12226815

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Popular Name: 2-[(2S)-1-benzyl-3-oxo-piperazin-2-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide 2-[(2S)-1-benzyl-3-oxo-piperazin…

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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) 3.11 8.4 -39.17 2 5 1 54 330.452 7 ↓
Hi High (pH 8-9.5) 3.11 6.89 -10.72 1 5 0 53 329.444 7 ↓

Analogs

12226813
12226813

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Popular Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-2-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide 2-[(2R)-1-benzyl-3-oxo-piperazin…

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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) 3.11 8.06 -39.73 2 5 1 54 330.452 7 ↓
Hi High (pH 8-9.5) 3.11 6.41 -11.27 1 5 0 53 329.444 7 ↓

Analogs

12226961
12226961

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Popular Name: N-(2-isopropoxyethyl)-2-[(2S)-1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetamide N-(2-isopropoxyethyl)-2-[(2S)-1-…

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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) 2.42 -2.92 -40.82 3 6 1 72 348.467 8 ↓

Analogs

12226955
12226955

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Popular Name: N-(2-isopropoxyethyl)-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetamide N-(2-isopropoxyethyl)-2-[(2R)-1-…

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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) 2.42 -2.92 -42.44 3 6 1 72 348.467 8 ↓

Analogs

37813791
37813791

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Popular Name: 3-fluoro-4-[(3-oxopiperazin-1-yl)methyl]benzonitrile 3-fluoro-4-[(3-oxopiperazin-1-yl…

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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) 1.06 2.21 -13.67 1 4 0 56 233.246 2 ↓

Analogs

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Popular Name: 4-fluoro-3-[(3-oxopiperazin-1-yl)methyl]benzonitrile 4-fluoro-3-[(3-oxopiperazin-1-yl…

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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) 1.06 2.21 -11.96 1 4 0 56 233.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-amino-6-bromo-phenyl)methyl]piperazin-2-one 4-[(2-amino-6-bromo-phenyl)methy…

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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) 1.41 2.48 -42.75 4 4 1 60 285.165 2 ↓
Hi High (pH 8-9.5) 1.41 0.19 -10.12 3 4 0 58 284.157 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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