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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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6092147
6092147

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Popular Name: INN) INN)

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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) 0.60 -6.26 -45.65 5 4 1 77 224.28 4 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidino)-N-[(1S)-1-phenylethyl]benzamide 5-(cyclobutanecarbonylamino)-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) 4.49 -1.12 -12.76 2 5 0 61 419.569 6 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidino)-N-[(1R)-1-phenylethyl]benzamide 5-(cyclobutanecarbonylamino)-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) 4.49 -1.11 -12.72 2 5 0 61 419.569 6 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl] 5-(cyclobutanecarbonylamino)-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) 3.36 10.13 -13.08 2 8 0 83 492.62 8 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl] 5-(cyclobutanecarbonylamino)-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) 3.36 10.1 -12.96 2 8 0 83 492.62 8 ↓

Analogs

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Popular Name: N-[4-(4-benzylpiperidino)-3-(piperidine-1-carbonyl)phenyl]cyclobutanecarboxamide N-[4-(4-benzylpiperidino)-3-(pip…

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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 13.57 -14.11 1 5 0 53 459.634 6 ↓

Analogs

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Popular Name: 2-(4-benzylpiperidino)-5-(cyclobutanecarbonylamino)-N-(2-morpholinoethyl)benzamide 2-(4-benzylpiperidino)-5-(cyclob…

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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) 3.84 10.84 -14.2 2 7 0 74 504.675 9 ↓
Mid Mid (pH 6-8) 3.84 13.12 -51.87 3 7 1 75 505.683 9 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-(cyclobutanecarbonylamino)-N-i…

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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 9.07 -18.51 2 7 0 74 464.61 8 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-(cyclobutanecarbonylamino)-N-i…

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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 8.37 -18.94 2 7 0 74 450.583 7 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-(cyclobutanecarbonylamino)-N-c…

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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) 4.89 -3.93 -13.98 2 7 0 73 490.648 7 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N-cyclohexyl-2-(4-methylpiperidino)benzamide 5-(cyclobutanecarbonylamino)-N-c…

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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 -2.09 -12.54 2 5 0 61 397.563 5 ↓

Analogs

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Popular Name: N-[4-[4-(2-methoxyphenyl)piperazino]-3-(piperidine-1-carbonyl)phenyl]cyclobutanecarboxamide N-[4-[4-(2-methoxyphenyl)piperaz…

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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) 3.66 -4.22 -14.43 1 7 0 65 476.621 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]cyclobutanecarboxamid N-[(1R)-1-[5-[(2-methylbenzyl)th…

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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) 4.19 14.05 -10.49 1 8 0 106 451.552 8 ↓

Analogs

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Popular Name: N-[(1S)-1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]cyclobutanecarboxamid N-[(1S)-1-[5-[(2-methylbenzyl)th…

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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) 4.19 14.07 -11.07 1 8 0 106 451.552 8 ↓

Analogs

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Popular Name: N-[(1R)-1-[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]ethyl]cyclobutanecarboxa N-[(1R)-1-[4-(5-chloro-2-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) 5.35 13.49 -10.72 1 6 0 69 471.026 8 ↓

Analogs

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Popular Name: N-[(1S)-1-[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]ethyl]cyclobutanecarboxa N-[(1S)-1-[4-(5-chloro-2-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) 5.35 13.42 -11.26 1 6 0 69 471.026 8 ↓

Analogs

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Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]cyclobutanecarbo N-[[4-(5-chloro-2-methyl-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) 5.15 14.16 -10.8 1 5 0 60 441 7 ↓

Analogs

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Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide N-[[4-(5-chloro-2-methyl-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) 4.79 12.86 -12.32 1 6 0 69 456.999 8 ↓

Analogs

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Popular Name: N-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide N-[[5-[(2-methylbenzyl)thio]-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) 4.12 0.24 -10.91 1 5 0 59 406.555 7 ↓

Analogs

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Popular Name: N-[[4-(2,5-dichlorophenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide N-[[4-(2,5-dichlorophenyl)-5-[(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.38 13.98 -11.56 1 5 0 60 461.418 7 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N,N-diethyl-2-piperidino-benzamide 5-(cyclobutanecarbonylamino)-N,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) 2.82 -0.67 -13.24 1 5 0 52 357.498 6 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N-phenethyl-2-piperidino-benzamide 5-(cyclobutanecarbonylamino)-N-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) 4.09 -2.09 -14.4 2 5 0 61 405.542 7 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N-[(1S)-1-phenylethyl]-2-piperidino-benzamide 5-(cyclobutanecarbonylamino)-N-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 -1.47 -12.93 2 5 0 61 405.542 6 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N-[(1R)-1-phenylethyl]-2-piperidino-benzamide 5-(cyclobutanecarbonylamino)-N-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 -1.46 -12.67 2 5 0 61 405.542 6 ↓

Analogs

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Popular Name: N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]cyclobutanecarboxamide N-[3-(4-methylpiperidine-1-carbo…

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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 -1.55 -12.58 1 5 0 52 383.536 4 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-(cyclobutanecarbonylamino)-N,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) 3.51 9.3 -16.31 1 7 0 65 464.61 8 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidino)-N-phenethyl-benzamide 5-(cyclobutanecarbonylamino)-2-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 -1.74 -14.4 2 5 0 61 419.569 7 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide 5-(cyclobutanecarbonylamino)-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) 4.58 -1.9 -16.07 2 5 0 61 453.586 7 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-(cyclobutanecarbonylamino)-N-c…

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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) 3.35 8.62 -18.81 2 7 0 74 448.567 7 ↓

Analogs

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Popular Name: 5-(cyclobutanecarbonylamino)-N-cyclopropyl-2-(4-methylpiperidino)benzamide 5-(cyclobutanecarbonylamino)-N-c…

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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 -2.29 -12.28 2 5 0 61 355.482 5 ↓

Analogs

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Popular Name: 2-(4-benzylpiperidino)-5-(cyclobutanecarbonylamino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 2-(4-benzylpiperidino)-5-(cyclob…

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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 11.68 -16.18 2 6 0 71 475.633 8 ↓

Analogs

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Popular Name: 2-(4-benzylpiperidino)-5-(cyclobutanecarbonylamino)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 2-(4-benzylpiperidino)-5-(cyclob…

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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 11.59 -17.18 2 6 0 71 475.633 8 ↓

Analogs

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Popular Name: N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-N-isobutyl-cyclobutanecarbox N-[2-[[5-tert-butyl-2-(4-chlorop…

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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) 5.47 13.91 -17.37 1 6 0 67 445.007 8 ↓

Analogs

43608210
43608210
43608001
43608001
43608003
43608003
43608006
43608006
43608009
43608009

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Popular Name: N-[(R)-cyclobutyl(2-furyl)methyl]ethanamine N-[(R)-cyclobutyl(2-furyl)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) 2.36 5.73 -34.87 2 2 1 30 180.271 4 ↓

Analogs

43608001
43608001
43608003
43608003
43608006
43608006
43608009
43608009
43608207
43608207

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Popular Name: N-[(S)-cyclobutyl(2-furyl)methyl]ethanamine N-[(S)-cyclobutyl(2-furyl)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) 2.36 5.73 -34.89 2 2 1 30 180.271 4 ↓

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-(cyclobutylmethyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-chloro-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) 1.55 7.77 -46.05 3 2 1 31 253.797 4 ↓
Hi High (pH 8-9.5) 1.55 7.46 -1.54 2 2 0 29 252.789 4 ↓

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclobutylmethyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-chloro-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) 1.55 7.76 -46.19 3 2 1 31 253.797 4 ↓
Hi High (pH 8-9.5) 1.55 7.42 -2.24 2 2 0 29 252.789 4 ↓

Analogs

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Popular Name: 2-chloro-N-(cyclobutylmethyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-chloro-N-(cyclobutylmethyl)-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) 3.81 9.54 -40.51 2 2 1 20 267.824 5 ↓
Hi High (pH 8-9.5) 3.81 8.36 -1.22 1 2 0 15 266.816 5 ↓

Analogs

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Popular Name: 2-chloro-N-(cyclobutylmethyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-chloro-N-(cyclobutylmethyl)-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) 3.81 9.54 -40.62 2 2 1 20 267.824 5 ↓
Hi High (pH 8-9.5) 3.81 8.36 -1.89 1 2 0 15 266.816 5 ↓

Analogs

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Popular Name: 2-chloro-N-(cyclobutylmethyl)-4-[(1S)-1-(ethylamino)ethyl]-N-methyl-aniline 2-chloro-N-(cyclobutylmethyl)-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) 4.18 10.38 -39.12 2 2 1 20 281.851 6 ↓

Analogs

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Popular Name: 2-chloro-N-(cyclobutylmethyl)-4-[(1R)-1-(ethylamino)ethyl]-N-methyl-aniline 2-chloro-N-(cyclobutylmethyl)-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) 4.18 10.37 -39.27 2 2 1 20 281.851 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-(cyclobutylmethyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-bromo-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) 1.69 7.96 -45.94 3 2 1 31 298.248 4 ↓
Hi High (pH 8-9.5) 1.69 7.65 -1.4 2 2 0 29 297.24 4 ↓

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-(cyclobutylmethyl)-N-methyl-aniline 4-[(1R)-1-aminoethyl]-2-bromo-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) 1.69 7.95 -46.11 3 2 1 31 298.248 4 ↓
Hi High (pH 8-9.5) 1.69 7.61 -2.14 2 2 0 29 297.24 4 ↓

Analogs

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Popular Name: 2-bromo-N-(cyclobutylmethyl)-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline 2-bromo-N-(cyclobutylmethyl)-N-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) 3.94 9.73 -40.38 2 2 1 20 312.275 5 ↓
Hi High (pH 8-9.5) 3.94 8.55 -1.19 1 2 0 15 311.267 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(cyclobutylmethyl)-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline 2-bromo-N-(cyclobutylmethyl)-N-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) 3.94 9.73 -40.59 2 2 1 20 312.275 5 ↓
Hi High (pH 8-9.5) 3.94 8.55 -1.81 1 2 0 15 311.267 5 ↓

Analogs

43608807
43608807
49844588
49844588
43608647
43608647
43608650
43608650
43608653
43608653

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Popular Name: N-[(R)-cyclobutyl(2-furyl)methyl]propan-1-amine N-[(R)-cyclobutyl(2-furyl)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) 2.86 6.69 -35.15 2 2 1 30 194.298 5 ↓

Analogs

49844588
49844588
43608647
43608647
43608650
43608650
43608653
43608653
43608805
43608805

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Popular Name: N-[(S)-cyclobutyl(2-furyl)methyl]propan-1-amine N-[(S)-cyclobutyl(2-furyl)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) 2.86 6.69 -35.16 2 2 1 30 194.298 5 ↓

Analogs

51726186
51726186

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Popular Name: 2-cyclobutanecarbonyl-5-methylfuran 2-cyclobutanecarbonyl-5-methylfuran

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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 6.05 -5.75 0 2 0 30 164.204 2 ↓

Analogs

49844627
49844627
49844628
49844628

Draw Identity 99% 90% 80% 70%

Popular Name: cyclobutyl-(2,5-dimethyl-3-furyl)methanone cyclobutyl-(2,5-dimethyl-3-furyl…

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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 6.74 -5.88 0 2 0 30 178.231 2 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(cyclobutylmethyl)-5-(3-hydrox…

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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) 0.49 2.71 -11.16 2 4 0 62 244.294 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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