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

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2H-1,3-benzodioxol-5-ylmethyl)-4-methylcyclohexan-1-amine N-(2H-1,3-benzodioxol-5-ylmethyl…

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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) 3.06 6.7 -45.8 2 3 1 35 248.346 3 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(trifluoromethyl)cyclohexanamine N-(1,3-benzodioxol-5-ylmethyl)-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) 3.61 7.23 -53.12 2 3 1 35 302.316 4 ↓

Analogs

5005405
5005405
5005403
5005403

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-(1,3-benzodioxol-5-ylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.08 7.61 -43.17 2 3 1 35 302.316 4 ↓
Hi High (pH 8-9.5) 4.08 6.73 -5.51 1 3 0 30 301.308 4 ↓

Analogs

5005405
5005405
5005403
5005403

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-(1,3-benzodioxol-5-ylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.08 7.39 -45.65 2 3 1 35 302.316 4 ↓
Hi High (pH 8-9.5) 4.08 6.76 -7.43 1 3 0 30 301.308 4 ↓

Analogs

5005405
5005405
5005403
5005403

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)cyclohexanamine (1R,2R)-N-(1,3-benzodioxol-5-ylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.08 7.39 -44.73 2 3 1 35 302.316 4 ↓
Hi High (pH 8-9.5) 4.08 6.11 -5.49 1 3 0 30 301.308 4 ↓

Analogs

5005405
5005405
5005403
5005403

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)cyclohexanamine (1S,2R)-N-(1,3-benzodioxol-5-ylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.08 7.61 -43.78 2 3 1 35 302.316 4 ↓
Hi High (pH 8-9.5) 4.08 7.09 -7.34 1 3 0 30 301.308 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]methanesulfonamide N-(1,3-benzodioxol-5-ylmethyl)-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) 3.39 6.04 -12.9 0 5 0 56 339.457 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]methanesulfonamide N-(1,3-benzodioxol-5-ylmethyl)-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) 3.39 5.56 -9.77 0 5 0 56 339.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]methanesulfonamide N-(1,3-benzodioxol-5-ylmethyl)-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) 3.39 5.79 -9.88 0 5 0 56 339.457 4 ↓

Analogs

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Popular Name: (1S,2R,4R)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4R)-N-[(7-bromo-1,3-benzo…

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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) 4.28 8.41 -45.42 2 3 1 35 341.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-[(7-bromo-1,3-benzo…

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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) 4.28 8 -47.55 2 3 1 35 341.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4R)-N-[(7-bromo-1,3-benzo…

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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) 4.28 8.2 -46.93 2 3 1 35 341.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4S)-N-[(7-bromo-1,3-benzo…

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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) 4.28 7.98 -47.08 2 3 1 35 341.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4R)-N-[(6-bromo-1,3-benzo…

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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) 4.28 8.39 -36.37 2 3 1 35 341.269 3 ↓
Hi High (pH 8-9.5) 4.28 7.54 -3.24 1 3 0 30 340.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-[(6-bromo-1,3-benzo…

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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) 4.28 7.97 -38.45 2 3 1 35 341.269 3 ↓
Hi High (pH 8-9.5) 4.28 6.93 -3.19 1 3 0 30 340.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4R)-N-[(6-bromo-1,3-benzo…

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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) 4.28 8.17 -38.49 2 3 1 35 341.269 3 ↓
Hi High (pH 8-9.5) 4.28 7.2 -3.18 1 3 0 30 340.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4S)-N-[(6-bromo-1,3-benzo…

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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) 4.28 7.95 -38.55 2 3 1 35 341.269 3 ↓
Hi High (pH 8-9.5) 4.28 6.97 -3.14 1 3 0 30 340.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(1S,2R,4R)-2,4-dimethylcycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 5.17 -43.07 3 4 1 55 278.372 3 ↓
Hi High (pH 8-9.5) 3.46 5.83 -29.64 2 4 0 58 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(1S,2R,4S)-2,4-dimethylcycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 4.76 -45.44 3 4 1 55 278.372 3 ↓
Hi High (pH 8-9.5) 3.46 5.42 -30.85 2 4 0 58 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(1R,2R,4R)-2,4-dimethylcycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 4.96 -44.88 3 4 1 55 278.372 3 ↓
Hi High (pH 8-9.5) 3.46 5.62 -31.56 2 4 0 58 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(1R,2R,4S)-2,4-dimethylcycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 4.74 -45.03 3 4 1 55 278.372 3 ↓
Hi High (pH 8-9.5) 3.46 5.4 -31.54 2 4 0 58 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4R)-N-[(1S)-1-(1,3-benzod…

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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 8.4 -40.61 2 3 1 35 276.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-[(1S)-1-(1,3-benzod…

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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 7.99 -43.21 2 3 1 35 276.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4R)-N-[(1S)-1-(1,3-benzod…

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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 8.14 -42.69 2 3 1 35 276.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4S)-N-[(1S)-1-(1,3-benzod…

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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 7.91 -42.7 2 3 1 35 276.4 3 ↓

Analogs

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Popular Name: (1S,2R,4R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4R)-N-[(7-chloro-1,3-benz…

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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 8.31 -45.62 2 3 1 35 296.818 3 ↓

Analogs

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Popular Name: (1S,2R,4S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-[(7-chloro-1,3-benz…

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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 7.9 -47.84 2 3 1 35 296.818 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4R)-N-[(7-chloro-1,3-benz…

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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 8.1 -47.1 2 3 1 35 296.818 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4S)-N-[(7-chloro-1,3-benz…

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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 7.87 -47.31 2 3 1 35 296.818 3 ↓

Analogs

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Popular Name: (1S,3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-cyclohexanamine (1S,3R)-N-(1,3-benzodioxol-5-ylm…

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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 5.31 -48.47 2 4 1 44 264.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-cyclohexanamine (1S,3S)-N-(1,3-benzodioxol-5-ylm…

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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 5.46 -44.58 2 4 1 44 264.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-cyclohexanamine (1R,3R)-N-(1,3-benzodioxol-5-ylm…

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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 5.46 -44.77 2 4 1 44 264.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-cyclohexanamine (1R,3S)-N-(1,3-benzodioxol-5-ylm…

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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 5.3 -48.26 2 4 1 44 264.345 4 ↓

Analogs

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Popular Name: 6-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-benzodioxol-5-ol 6-[[methyl-(4-methylcyclohexyl)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) 3.23 5.81 -38.49 2 4 1 43 278.372 3 ↓
Hi High (pH 8-9.5) 3.23 6.56 -31.37 1 4 0 46 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[(1S)-1-(1,3-benzodiox…

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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) 3.86 7.51 -43.73 2 3 1 35 262.373 3 ↓

Analogs

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Popular Name: (1S,3S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-cyclohexanamine (1S,3S)-N-[(1S)-1-(1,3-benzodiox…

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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) 3.86 7.29 -43.44 2 3 1 35 262.373 3 ↓

Analogs

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Popular Name: (1R,3R)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-cyclohexanamine (1R,3R)-N-[(1S)-1-(1,3-benzodiox…

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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) 3.86 7.26 -43.73 2 3 1 35 262.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-cyclohexanamine (1R,3S)-N-[(1S)-1-(1,3-benzodiox…

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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) 3.86 7.47 -43.93 2 3 1 35 262.373 3 ↓

Analogs

42812275
42812275
42812279
42812279
42812283
42812283
42812287
42812287

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Popular Name: (1R,2S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-cyclohexanamine (1R,2S)-N-[(1S)-1-(1,3-benzodiox…

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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) 3.32 6.12 -41.02 2 4 1 44 278.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-cyclohexanamine (1R,2S)-N-[(1R)-1-(1,3-benzodiox…

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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) 3.32 6.17 -42.69 2 4 1 44 278.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-cyclohexanamine (1S,2S)-N-[(1S)-1-(1,3-benzodiox…

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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) 3.32 6.05 -40.15 2 4 1 44 278.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-cyclohexanamine (1S,2S)-N-[(1R)-1-(1,3-benzodiox…

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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) 3.32 6 -41.23 2 4 1 44 278.372 4 ↓

Analogs

42176762
42176762
36804086
36804086
36804173
36804173
36804175
36804175

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Popular Name: 4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]cyclohexanol 4-[(7-bromo-1,3-benzodioxol-5-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) 2.41 3.73 -47.75 3 4 1 55 329.214 3 ↓

Analogs

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Popular Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]cyclohexanol 4-[(7-chloro-1,3-benzodioxol-5-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) 2.28 3.63 -47.98 3 4 1 55 284.763 3 ↓

Analogs

53116226
53116226
53116228
53116228
53116231
53116231
53116235
53116235

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3R)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-cyclohexanamine (1S,2R,3R)-N-[(7-bromo-1,3-benzo…

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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) 4.51 7.87 -47.52 2 3 1 35 341.269 3 ↓

Analogs

53116226
53116226
53116228
53116228
53116231
53116231
53116235
53116235

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3S)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-cyclohexanamine (1S,2R,3S)-N-[(7-bromo-1,3-benzo…

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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) 4.51 8.27 -45.53 2 3 1 35 341.269 3 ↓

Analogs

53116226
53116226
53116228
53116228
53116231
53116231
53116235
53116235

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-cyclohexanamine (1R,2R,3R)-N-[(7-bromo-1,3-benzo…

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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) 4.51 7.84 -46.68 2 3 1 35 341.269 3 ↓

Analogs

53116226
53116226
53116228
53116228
53116231
53116231
53116235
53116235

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3S)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-cyclohexanamine (1R,2R,3S)-N-[(7-bromo-1,3-benzo…

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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) 4.51 8.07 -46.89 2 3 1 35 341.269 3 ↓

Analogs

53116213
53116213
53116217
53116217
53116219
53116219
53116223
53116223

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-cyclohexanamine (1S,2R,3R)-N-[(7-chloro-1,3-benz…

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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) 4.38 7.77 -47.79 2 3 1 35 296.818 3 ↓

Analogs

53116213
53116213
53116217
53116217
53116219
53116219
53116223
53116223

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,3-dimethyl-cyclohexanamine (1S,2R,3S)-N-[(7-chloro-1,3-benz…

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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) 4.38 8.17 -45.77 2 3 1 35 296.818 3 ↓

Parameters Provided:

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

SQL Query Was

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