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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-ethyl-1H-imidazol-2-yl)methanesulfonamide (1-ethyl-1H-imidazol-2-yl)methan…

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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) -0.77 -0.6 -16.88 2 5 0 78 189.24 3 ↓
Lo Low (pH 4.5-6) -0.77 -0.13 -38.65 3 5 1 79 190.248 3 ↓

Analogs

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Popular Name: N-isopropyl-1-(1-methyl-1H-imidazol-2-yl)methanesulfonamide N-isopropyl-1-(1-methyl-1H-imida…

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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) -0.10 1.25 -15.98 1 5 0 64 217.294 4 ↓
Lo Low (pH 4.5-6) -0.10 1.65 -36.94 2 5 1 65 218.302 4 ↓

Analogs

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Popular Name: 1-(1-cyclopropyl-1H-imidazol-2-yl)-N-ethylethanesulfonamide 1-(1-cyclopropyl-1H-imidazol-2-y…

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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) 0.33 2.59 -17.41 1 5 0 64 243.332 5 ↓
Mid Mid (pH 6-8) 0.33 3.18 -32.55 2 5 1 65 244.34 5 ↓

Analogs

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Popular Name: 1-(1-cyclopropyl-1H-imidazol-2-yl)-N-ethylethanesulfonamide 1-(1-cyclopropyl-1H-imidazol-2-y…

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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) 0.33 2.65 -17.34 1 5 0 64 243.332 5 ↓
Mid Mid (pH 6-8) 0.33 3.13 -32.64 2 5 1 65 244.34 5 ↓

Analogs

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Popular Name: N-isopropyl-1-(1-isopropyl-1H-imidazol-2-yl)ethanesulfonamide N-isopropyl-1-(1-isopropyl-1H-im…

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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) 1.00 3.15 -16.68 1 5 0 64 259.375 5 ↓
Mid Mid (pH 6-8) 1.00 3.69 -31.94 2 5 1 65 260.383 5 ↓

Analogs

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Popular Name: N-isopropyl-1-(1-isopropyl-1H-imidazol-2-yl)ethanesulfonamide N-isopropyl-1-(1-isopropyl-1H-im…

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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) 1.00 3.29 -17.03 1 5 0 64 259.375 5 ↓
Mid Mid (pH 6-8) 1.00 3.98 -32.68 2 5 1 65 260.383 5 ↓

Analogs

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Popular Name: N-ethyl-1-(1-ethyl-1H-imidazol-2-yl)ethanesulfonamide N-ethyl-1-(1-ethyl-1H-imidazol-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) 0.34 2.02 -17.64 1 5 0 64 231.321 5 ↓
Mid Mid (pH 6-8) 0.34 2.54 -33.64 2 5 1 65 232.329 5 ↓

Analogs

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Popular Name: N-ethyl-1-(1-ethyl-1H-imidazol-2-yl)ethanesulfonamide N-ethyl-1-(1-ethyl-1H-imidazol-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) 0.34 2.02 -17.59 1 5 0 64 231.321 5 ↓
Mid Mid (pH 6-8) 0.34 2.63 -33.76 2 5 1 65 232.329 5 ↓

Analogs

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Popular Name: 1-(1-ethyl-1H-imidazol-2-yl)ethanethiol 1-(1-ethyl-1H-imidazol-2-yl)etha…

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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) 1.13 5.06 -7.18 0 2 0 18 156.254 2 ↓
Hi High (pH 8-9.5) 1.13 5.6 -50.97 0 2 -1 18 155.246 2 ↓
Mid Mid (pH 6-8) 1.13 5.53 -26.19 1 2 1 19 157.262 2 ↓

Analogs

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Popular Name: 1-(1-ethyl-1H-imidazol-2-yl)ethanethiol 1-(1-ethyl-1H-imidazol-2-yl)etha…

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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) 1.13 5.14 -7.24 0 2 0 18 156.254 2 ↓
Hi High (pH 8-9.5) 1.13 5.68 -51.59 0 2 -1 18 155.246 2 ↓
Mid Mid (pH 6-8) 1.13 5.65 -26.28 1 2 1 19 157.262 2 ↓

Analogs

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Popular Name: benzyl 4-iodo-4-methylpiperidine-1-carboxylate benzyl 4-iodo-4-methylpiperidine…

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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 8.88 -5.94 0 3 0 30 359.207 3 ↓

Analogs

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Popular Name: 4-(tert-butyl)-5-(chloromethyl)oxazole 4-(tert-butyl)-5-(chloromethyl)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) 2.99 2.82 -5.82 0 2 0 26 173.643 2 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-isopropyl-1-methyl-1H-pyrazol-5-amine 3-cyclopropyl-N-isopropyl-1-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) 1.63 5.64 -6.48 1 3 0 30 179.267 3 ↓
Mid Mid (pH 6-8) 1.63 5.86 -23.01 2 3 1 31 180.275 3 ↓

Analogs

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Popular Name: N-cyclopropyl-1,5-dimethyl-1H-pyrazol-3-amine N-cyclopropyl-1,5-dimethyl-1H-py…

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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) 0.96 4.23 -7.17 1 3 0 30 151.213 2 ↓
Lo Low (pH 4.5-6) 0.96 4.39 -24.41 2 3 1 31 152.221 2 ↓

Analogs

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Popular Name: (2-isopropylthiazol-5-yl)methanesulfonamide (2-isopropylthiazol-5-yl)methane…

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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) 0.63 -0.48 -14.96 2 4 0 73 220.319 3 ↓

Analogs

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Popular Name: 1-(1-isopropyl-1H-imidazol-2-yl)-N,N-dimethylmethanesulfonamide 1-(1-isopropyl-1H-imidazol-2-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) 0.21 2.98 -14.78 0 5 0 55 231.321 4 ↓
Lo Low (pH 4.5-6) 0.21 3.46 -35.05 1 5 1 56 232.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-(1-methyl-1H-imidazol-2-yl)ethanesulfonamide N-cyclopropyl-1-(1-methyl-1H-imi…

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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) -0.04 1.61 -17.23 1 5 0 64 229.305 4 ↓
Lo Low (pH 4.5-6) -0.04 2.33 -34.54 2 5 1 65 230.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-(1-methyl-1H-imidazol-2-yl)ethanesulfonamide N-cyclopropyl-1-(1-methyl-1H-imi…

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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) -0.04 2.01 -17.91 1 5 0 64 229.305 4 ↓
Lo Low (pH 4.5-6) -0.04 2.57 -34.82 2 5 1 65 230.313 4 ↓

Analogs

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Popular Name: 3-chloro-N-cyclopropylpyridine-2-sulfonamide 3-chloro-N-cyclopropylpyridine-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) 1.27 1.13 -11.07 1 4 0 59 232.692 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(1-methyl-1H-imidazol-2-yl)ethanesulfonamide N-methyl-1-(1-methyl-1H-imidazol…

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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) -0.41 0.43 -14.97 1 5 0 64 203.267 3 ↓
Lo Low (pH 4.5-6) -0.41 0.66 -34.51 2 5 1 65 204.275 3 ↓

Analogs

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Popular Name: N-methyl-1-(1-methyl-1H-imidazol-2-yl)ethanesulfonamide N-methyl-1-(1-methyl-1H-imidazol…

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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) -0.41 0.33 -18.58 1 5 0 64 203.267 3 ↓
Lo Low (pH 4.5-6) -0.41 0.88 -34.92 2 5 1 65 204.275 3 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-N,N-dimethylmethanesulfonamide 1-(4-methoxyphenyl)-N,N-dimethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 2.51 -12.14 0 4 0 47 229.301 4 ↓

Analogs

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Popular Name: N-cyclopropyl-5-fluoropyrimidin-4-amine N-cyclopropyl-5-fluoropyrimidin-…

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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) 0.67 4.33 -3.72 1 3 0 38 153.16 2 ↓

Analogs

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Popular Name: benzyl 2-oxo-1,6-diazaspiro[3.4]octane-6-carboxylate benzyl 2-oxo-1,6-diazaspiro[3.4]…

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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) 1.22 3.24 -14.32 1 5 0 59 260.293 3 ↓

Analogs

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Popular Name: benzyl 2-oxo-1,6-diazaspiro[3.4]octane-6-carboxylate benzyl 2-oxo-1,6-diazaspiro[3.4]…

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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) 1.22 3.23 -14.33 1 5 0 59 260.293 3 ↓

Analogs

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Popular Name: tert-butyl 4-bromo-4-methylpiperidine-1-carboxylate tert-butyl 4-bromo-4-methylpiper…

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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) 2.95 6.53 -4.91 0 3 0 30 278.19 2 ↓

Analogs

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Popular Name: benzyl 3-(((trifluoromethyl)amino)methyl)piperidine-1-carboxylate benzyl 3-(((trifluoromethyl)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) 3.26 6.19 -7.65 1 4 0 42 316.323 6 ↓

Analogs

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Popular Name: benzyl 3-(((trifluoromethyl)amino)methyl)piperidine-1-carboxylate benzyl 3-(((trifluoromethyl)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) 3.26 6.27 -7.95 1 4 0 42 316.323 6 ↓

Analogs

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Popular Name: benzyl ((1-(trifluoromethyl)piperidin-4-yl)methyl)carbamate benzyl ((1-(trifluoromethyl)pipe…

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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) 3.26 4.94 -7.72 1 4 0 42 316.323 6 ↓

Analogs

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Popular Name: 1-(7-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl)ethanone 1-(7-(bromomethyl)-2-azaspiro[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) 1.69 6.42 -9.23 0 2 0 20 260.175 1 ↓

Analogs

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Popular Name: 1-(7-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl)ethanone 1-(7-(bromomethyl)-2-azaspiro[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) 1.69 6.42 -9.26 0 2 0 20 260.175 1 ↓

Analogs

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Popular Name: 1-(7-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl)ethanone 1-(7-(bromomethyl)-2-azaspiro[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) 1.69 6.46 -9.78 0 2 0 20 260.175 1 ↓

Analogs

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Popular Name: 1-(7-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl)ethanone 1-(7-(bromomethyl)-2-azaspiro[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) 1.69 6.47 -8.84 0 2 0 20 260.175 1 ↓

Analogs

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Popular Name: 4-((cyclopropyl(trifluoromethyl)amino)methyl)phenol 4-((cyclopropyl(trifluoromethyl)…

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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) 2.54 2.66 -5.16 1 2 0 23 231.217 4 ↓

Analogs

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Popular Name: 3-(((trifluoromethyl)amino)methyl)phenol 3-(((trifluoromethyl)amino)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) 1.91 0.35 -4.45 2 2 0 32 191.152 3 ↓

Analogs

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Popular Name: methyl 4-((cyclopropyl(trifluoromethyl)amino)methyl)benzoate methyl 4-((cyclopropyl(trifluoro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 6.16 -6.65 0 3 0 30 273.254 6 ↓

Analogs

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Popular Name: N-(4-bromobenzyl)-N-(trifluoromethyl)propan-2-amine N-(4-bromobenzyl)-N-(trifluorome…

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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 5.79 -3.25 0 1 0 3 296.13 4 ↓

Analogs

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Popular Name: N-(2-chlorobenzyl)-N-(trifluoromethyl)ethanamine N-(2-chlorobenzyl)-N-(trifluorom…

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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 5.33 -2.89 0 1 0 3 237.652 4 ↓

Analogs

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Popular Name: N-(2-chlorobenzyl)-1,1,1-trifluoromethanamine N-(2-chlorobenzyl)-1,1,1-trifluo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 3.65 -2.52 1 1 0 12 209.598 3 ↓

Analogs

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Popular Name: 1,1,1-trifluoro-N-(2-fluorobenzyl)methanamine 1,1,1-trifluoro-N-(2-fluorobenzy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 3.24 -3.07 1 1 0 12 193.143 3 ↓

Analogs

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Popular Name: 1-((3,5-dimethyltetrahydro-2H-pyran-4-yl)sulfonyl)pyrrolidine 1-((3,5-dimethyltetrahydro-2H-py…

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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) 1.45 2.97 -9.82 0 4 0 47 247.36 2 ↓

Analogs

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Popular Name: 1-((3,5-dimethyltetrahydro-2H-pyran-4-yl)sulfonyl)pyrrolidine 1-((3,5-dimethyltetrahydro-2H-py…

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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) 1.45 2.93 -9.84 0 4 0 47 247.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-((3,5-dimethyltetrahydro-2H-pyran-4-yl)sulfonyl)pyrrolidine 1-((3,5-dimethyltetrahydro-2H-py…

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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) 1.45 2.58 -10.3 0 4 0 47 247.36 2 ↓

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Popular Name: N-(3-ethylbenzyl)-N-(trifluoromethyl)cyclopropanamine N-(3-ethylbenzyl)-N-(trifluorome…

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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) 3.91 6.73 -3.64 0 1 0 3 243.272 5 ↓

Analogs

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Popular Name: N,3,5-trimethyltetrahydro-2H-pyran-4-sulfonamide N,3,5-trimethyltetrahydro-2H-pyr…

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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) 0.80 0.2 -10.56 1 4 0 55 207.295 2 ↓

Analogs

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Popular Name: N,3,5-trimethyltetrahydro-2H-pyran-4-sulfonamide N,3,5-trimethyltetrahydro-2H-pyr…

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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) 0.80 0.07 -10.08 1 4 0 55 207.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyltetrahydro-2H-pyran-4-sulfonamide N,3,5-trimethyltetrahydro-2H-pyr…

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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) 0.80 0.32 -10.49 1 4 0 55 207.295 2 ↓

Analogs

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Popular Name: N-cyclopropyl-3-methyltetrahydro-2H-pyran-4-sulfonamide N-cyclopropyl-3-methyltetrahydro…

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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) 0.69 0.53 -9.76 1 4 0 55 219.306 3 ↓

Analogs

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Popular Name: N-cyclopropyl-3-methyltetrahydro-2H-pyran-4-sulfonamide N-cyclopropyl-3-methyltetrahydro…

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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) 0.69 0.5 -10.09 1 4 0 55 219.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3-methyltetrahydro-2H-pyran-4-sulfonamide N-cyclopropyl-3-methyltetrahydro…

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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) 0.69 1 -10.09 1 4 0 55 219.306 3 ↓

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