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Analogs

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Popular Name: (1R)-N-[(1S,2S)-2-tert-butylcyclohexyl]indan-1-amine (1R)-N-[(1S,2S)-2-tert-butylcycl…

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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) 5.42 11.21 -30.61 2 1 1 17 272.456 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S,2R)-2-tert-butylcyclohexyl]indan-1-amine (1R)-N-[(1S,2R)-2-tert-butylcycl…

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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) 5.42 10.94 -32.55 2 1 1 17 272.456 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R,2S)-2-tert-butylcyclohexyl]indan-1-amine (1R)-N-[(1R,2S)-2-tert-butylcycl…

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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) 5.42 11.26 -33.64 2 1 1 17 272.456 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R,2R)-2-tert-butylcyclohexyl]indan-1-amine (1R)-N-[(1R,2R)-2-tert-butylcycl…

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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) 5.42 11.29 -29.9 2 1 1 17 272.456 3 ↓

Analogs

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Popular Name: (1R,3S)-3-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1,7-dimethyl-indan-4-ol (1R,3S)-3-[[(1R,2S,3S)-2,3-dimet…

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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) 5.00 8.44 -33.77 3 2 1 37 288.455 2 ↓

Analogs

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Popular Name: (1S,3S)-3-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1,7-dimethyl-indan-4-ol (1S,3S)-3-[[(1R,2S,3S)-2,3-dimet…

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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) 5.00 8.14 -35.52 3 2 1 37 288.455 2 ↓

Analogs

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Popular Name: (1R,3R)-3-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1,7-dimethyl-indan-4-ol (1R,3R)-3-[[(1R,2S,3S)-2,3-dimet…

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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) 5.00 8.24 -33.2 3 2 1 37 288.455 2 ↓

Analogs

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Popular Name: (1S,3R)-3-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1,7-dimethyl-indan-4-ol (1S,3R)-3-[[(1R,2S,3S)-2,3-dimet…

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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) 5.00 8.04 -33.89 3 2 1 37 288.455 2 ↓

Analogs

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Popular Name: (1S)-N-[4-(trifluoromethyl)cyclohexyl]indan-1-amine (1S)-N-[4-(trifluoromethyl)cyclo…

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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) 4.17 9.64 -38.82 2 1 1 17 284.345 3 ↓

Analogs

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Popular Name: (1R)-N-[4-(trifluoromethyl)cyclohexyl]indan-1-amine (1R)-N-[4-(trifluoromethyl)cyclo…

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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) 4.17 9.83 -41.19 2 1 1 17 284.345 3 ↓

Analogs

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Popular Name: (1S)-1-[[4-(trifluoromethyl)cyclohexyl]amino]indan-4-ol (1S)-1-[[4-(trifluoromethyl)cycl…

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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) 4.11 6.88 -44.23 3 2 1 37 300.344 3 ↓

Analogs

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Popular Name: (1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]indan-4-ol (1R)-1-[[4-(trifluoromethyl)cycl…

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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) 4.11 6.97 -44.23 3 2 1 37 300.344 3 ↓

Analogs

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Popular Name: (1S)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]indan-1-amine (1S)-N-[(1R,2S)-2-(trifluorometh…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.64 9.82 -34.02 2 1 1 17 284.345 3 ↓
Hi High (pH 8-9.5) 4.64 9.12 -2.78 1 1 0 12 283.337 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]indan-1-amine (1R)-N-[(1R,2S)-2-(trifluorometh…

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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 10.01 -34.33 2 1 1 17 284.345 3 ↓
Hi High (pH 8-9.5) 4.64 9.2 -2.66 1 1 0 12 283.337 3 ↓

Analogs

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Popular Name: (1S)-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]indan-1-amine (1S)-N-[(1S,2S)-2-(trifluorometh…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.64 9.67 -35.33 2 1 1 17 284.345 3 ↓
Hi High (pH 8-9.5) 4.64 9.21 -3.12 1 1 0 12 283.337 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]indan-1-amine (1R)-N-[(1S,2S)-2-(trifluorometh…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.64 9.55 -36.07 2 1 1 17 284.345 3 ↓
Hi High (pH 8-9.5) 4.64 8.86 -4.64 1 1 0 12 283.337 3 ↓

Analogs

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Popular Name: (1S)-1-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]amino]indan-4-ol (1S)-1-[[(1R,2S)-2-(trifluoromet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.58 6.97 -37.48 3 2 1 37 300.344 3 ↓
Hi High (pH 8-9.5) 4.58 6.27 -4.36 2 2 0 32 299.336 3 ↓

Analogs

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Popular Name: (1R)-1-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]amino]indan-4-ol (1R)-1-[[(1R,2S)-2-(trifluoromet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.58 7.15 -37.83 3 2 1 37 300.344 3 ↓
Hi High (pH 8-9.5) 4.58 6.34 -4.56 2 2 0 32 299.336 3 ↓

Analogs

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Popular Name: (1S)-1-[[(1S,2S)-2-(trifluoromethyl)cyclohexyl]amino]indan-4-ol (1S)-1-[[(1S,2S)-2-(trifluoromet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.58 6.83 -39.01 3 2 1 37 300.344 3 ↓
Hi High (pH 8-9.5) 4.58 6.35 -5.09 2 2 0 32 299.336 3 ↓

Analogs

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Popular Name: (1R)-1-[[(1S,2S)-2-(trifluoromethyl)cyclohexyl]amino]indan-4-ol (1R)-1-[[(1S,2S)-2-(trifluoromet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.58 6.7 -39.18 3 2 1 37 300.344 3 ↓
Hi High (pH 8-9.5) 4.58 6.01 -6.31 2 2 0 32 299.336 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1S)-indan-1-yl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(1S)-indan-1-yl]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) 3.50 8.5 -41.17 2 2 1 40 241.358 2 ↓
Hi High (pH 8-9.5) 3.50 7.62 -7.04 1 2 0 36 240.35 2 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1R)-indan-1-yl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(1R)-indan-1-yl]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) 3.50 8.7 -46.45 2 2 1 40 241.358 2 ↓
Hi High (pH 8-9.5) 3.50 7.77 -9.42 1 2 0 36 240.35 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(1S)-indan-1-yl]amino]cyclohexanecarbonitrile (1S,2S)-2-[[(1S)-indan-1-yl]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) 3.50 8.81 -42.02 2 2 1 40 241.358 2 ↓
Hi High (pH 8-9.5) 3.50 7.99 -6.54 1 2 0 36 240.35 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(1R)-indan-1-yl]amino]cyclohexanecarbonitrile (1S,2S)-2-[[(1R)-indan-1-yl]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) 3.50 8.73 -42.38 2 2 1 40 241.358 2 ↓
Hi High (pH 8-9.5) 3.50 7.78 -8.04 1 2 0 36 240.35 2 ↓

Analogs

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Popular Name: (1R)-5-bromo-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]indan-1-amine (1R)-5-bromo-N-[(1S,2R,4R)-2,4-d…

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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) 4.88 10.63 -37.13 2 1 1 17 323.298 2 ↓

Analogs

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Popular Name: (1R)-5-bromo-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]indan-1-amine (1R)-5-bromo-N-[(1S,2R,4S)-2,4-d…

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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) 4.88 10.2 -39.63 2 1 1 17 323.298 2 ↓

Analogs

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Popular Name: (1R)-5-bromo-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]indan-1-amine (1R)-5-bromo-N-[(1R,2R,4R)-2,4-d…

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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) 4.88 10.48 -39.12 2 1 1 17 323.298 2 ↓

Analogs

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Popular Name: (1R)-5-bromo-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]indan-1-amine (1R)-5-bromo-N-[(1R,2R,4S)-2,4-d…

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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) 4.88 10.26 -39.23 2 1 1 17 323.298 2 ↓

Analogs

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Popular Name: (1R,3S)-3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1,7-dimethyl-indan-4-ol (1R,3S)-3-[[(1R,2S,4S)-2,4-dimet…

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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) 4.76 8.85 -31.59 3 2 1 37 288.455 2 ↓

Analogs

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Popular Name: (1S,3S)-3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1,7-dimethyl-indan-4-ol (1S,3S)-3-[[(1R,2S,4S)-2,4-dimet…

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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) 4.76 8.57 -33.44 3 2 1 37 288.455 2 ↓

Analogs

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Popular Name: (1R,3R)-3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1,7-dimethyl-indan-4-ol (1R,3R)-3-[[(1R,2S,4S)-2,4-dimet…

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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) 4.76 8.77 -31.55 3 2 1 37 288.455 2 ↓

Analogs

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Popular Name: (1S,3R)-3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1,7-dimethyl-indan-4-ol (1S,3R)-3-[[(1R,2S,4S)-2,4-dimet…

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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) 4.76 8.59 -32.37 3 2 1 37 288.455 2 ↓

Analogs

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Popular Name: (1R)-1-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]indan-4-ol (1R)-1-[[(1S,2R,4R)-2,4-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) 4.04 7.16 -35.56 3 2 1 37 260.401 2 ↓

Analogs

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Popular Name: (1R)-1-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]indan-4-ol (1R)-1-[[(1S,2R,4S)-2,4-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) 4.04 6.73 -38 3 2 1 37 260.401 2 ↓

Analogs

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Popular Name: (1R)-1-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]indan-4-ol (1R)-1-[[(1R,2R,4R)-2,4-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) 4.04 7.02 -37.47 3 2 1 37 260.401 2 ↓

Analogs

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Popular Name: (1R)-1-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]indan-4-ol (1R)-1-[[(1R,2R,4S)-2,4-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) 4.04 6.8 -37.55 3 2 1 37 260.401 2 ↓

Analogs

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Popular Name: (1R)-N-[(1S,3R)-3-methoxycyclohexyl]indan-1-amine (1R)-N-[(1S,3R)-3-methoxycyclohe…

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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) 3.08 7.53 -37.93 2 2 1 26 246.374 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S,3S)-3-methoxycyclohexyl]indan-1-amine (1R)-N-[(1S,3S)-3-methoxycyclohe…

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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) 3.08 7.66 -36.65 2 2 1 26 246.374 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R,3R)-3-methoxycyclohexyl]indan-1-amine (1R)-N-[(1R,3R)-3-methoxycyclohe…

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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) 3.08 7.74 -35 2 2 1 26 246.374 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R,3S)-3-methoxycyclohexyl]indan-1-amine (1R)-N-[(1R,3S)-3-methoxycyclohe…

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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) 3.08 7.59 -38.13 2 2 1 26 246.374 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S,2R)-2-methoxycyclohexyl]indan-1-amine (1R)-N-[(1S,2R)-2-methoxycyclohe…

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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) 3.31 7.79 -33.32 2 2 1 26 246.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S,2S)-2-methoxycyclohexyl]indan-1-amine (1R)-N-[(1S,2S)-2-methoxycyclohe…

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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) 3.31 7.65 -34.97 2 2 1 26 246.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R,2R)-2-methoxycyclohexyl]indan-1-amine (1R)-N-[(1R,2R)-2-methoxycyclohe…

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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) 3.31 7.73 -33.21 2 2 1 26 246.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R,2S)-2-methoxycyclohexyl]indan-1-amine (1R)-N-[(1R,2S)-2-methoxycyclohe…

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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) 3.31 7.84 -34.78 2 2 1 26 246.374 3 ↓

Analogs

21804887
21804887
34676206
34676206
34676207
34676207

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-indan-1-yl]amino]cyclohexanol (1S,2R)-2-[[(1S)-indan-1-yl]amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
VACHT-1-E Vesicular Acetylcholine Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
VACHT_HUMAN Q16572 Vesicular Acetylcholine Transporter, Human 3000 0.45 Binding ≤ 10μM

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) 2.70 5.41 -32.88 3 2 1 37 232.347 2 ↓

Analogs

21804887
21804887
34676206
34676206
34676207
34676207

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-indan-1-yl]amino]cyclohexanol (1S,2S)-2-[[(1S)-indan-1-yl]amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
VACHT-1-E Vesicular Acetylcholine Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
VACHT_HUMAN Q16572 Vesicular Acetylcholine Transporter, Human 3000 0.45 Binding ≤ 10μM

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) 2.70 5.37 -32.92 3 2 1 37 232.347 2 ↓

Analogs

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Popular Name: (1R)-1-[(4-propylcyclohexyl)amino]indan-4-ol (1R)-1-[(4-propylcyclohexyl)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) 4.80 7.98 -37.69 3 2 1 37 274.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(4-propylcyclohexyl)amino]indan-4-ol (1S)-1-[(4-propylcyclohexyl)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) 4.80 7.85 -41.08 3 2 1 37 274.428 4 ↓

Parameters Provided:

ring.id = 55001
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 55001 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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