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Analogs

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Popular Name: (4S)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,2R,4R)-2,4-dimethylc…

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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 10.57 -34.56 2 1 1 17 276.469 2 ↓
Hi High (pH 8-9.5) 4.14 9.56 -2.09 1 1 0 12 275.461 2 ↓

Analogs

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Popular Name: (4S)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,2R,4S)-2,4-dimethylc…

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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 9.46 -38.82 2 1 1 17 276.469 2 ↓
Hi High (pH 8-9.5) 4.14 9.07 -1.82 1 1 0 12 275.461 2 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2R,4R)-2,4-dimethylc…

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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 10.33 -36.89 2 1 1 17 276.469 2 ↓
Hi High (pH 8-9.5) 4.14 9.44 -2.07 1 1 0 12 275.461 2 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2R,4S)-2,4-dimethylc…

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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 10.1 -36.93 2 1 1 17 276.469 2 ↓
Hi High (pH 8-9.5) 4.14 9.22 -2.06 1 1 0 12 275.461 2 ↓

Analogs

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Popular Name: (4S)-N-(4-methylcyclohexyl)isothiochroman-4-amine (4S)-N-(4-methylcyclohexyl)isoth…

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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) 3.67 9.44 -38.48 2 1 1 17 262.442 2 ↓

Analogs

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Popular Name: (4R)-N-(4-methylcyclohexyl)isothiochroman-4-amine (4R)-N-(4-methylcyclohexyl)isoth…

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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) 3.67 8.76 -39.97 2 1 1 17 262.442 2 ↓

Analogs

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Popular Name: 4-[[(4R)-isothiochroman-4-yl]amino]cyclohexanol 4-[[(4R)-isothiochroman-4-yl]ami…

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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) 2.27 5.04 -43.69 3 2 1 37 264.414 2 ↓

Analogs

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Popular Name: 4-[[(4S)-isothiochroman-4-yl]amino]cyclohexanol 4-[[(4S)-isothiochroman-4-yl]ami…

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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) 2.27 5.71 -42.08 3 2 1 37 264.414 2 ↓

Analogs

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Popular Name: (4S)-N-[(1S,2R)-2-methylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,2R)-2-methylcyclohex…

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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 8.87 -38.28 2 1 1 17 262.442 2 ↓

Analogs

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Popular Name: (4S)-N-[(1S,2S)-2-methylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,2S)-2-methylcyclohex…

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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 9.04 -37.45 2 1 1 17 262.442 2 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2R)-2-methylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2R)-2-methylcyclohex…

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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 9.72 -36.2 2 1 1 17 262.442 2 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2S)-2-methylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2S)-2-methylcyclohex…

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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 9.52 -36.65 2 1 1 17 262.442 2 ↓

Analogs

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Popular Name: (4S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,2R,3R)-2,3-dimethylc…

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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 9.34 -38.65 2 1 1 17 276.469 2 ↓

Analogs

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Popular Name: (4S)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,2R,3S)-2,3-dimethylc…

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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 10.44 -34.66 2 1 1 17 276.469 2 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2R,3R)-2,3-dimethylc…

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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 9.96 -36.52 2 1 1 17 276.469 2 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2R,3S)-2,3-dimethylc…

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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 10.2 -36.78 2 1 1 17 276.469 2 ↓

Analogs

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Popular Name: (4S)-N-[(1S,2R)-2-ethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,2R)-2-ethylcyclohexy…

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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 10.58 -34.88 2 1 1 17 276.469 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S,2S)-2-ethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,2S)-2-ethylcyclohexy…

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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 9.69 -38.08 2 1 1 17 276.469 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2R)-2-ethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2R)-2-ethylcyclohexy…

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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 10.36 -36.96 2 1 1 17 276.469 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2S)-2-ethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2S)-2-ethylcyclohexy…

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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 10.56 -34.63 2 1 1 17 276.469 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2R,5R)-2-isopropyl-5…

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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) 5.64 11.15 -31.27 2 1 1 17 304.523 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2R,5S)-2-isopropyl-5…

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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) 5.64 11.61 -34.62 2 1 1 17 304.523 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2S,5R)-2-isopropyl-5…

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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) 5.64 11.31 -37.33 2 1 1 17 304.523 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,2S,5S)-2-isopropyl-5…

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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) 5.64 11.09 -36.89 2 1 1 17 304.523 3 ↓

Analogs

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Popular Name: (4R)-N-[4-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4R)-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) 4.22 9.3 -46.68 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.22 8.83 -3.8 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: (4S)-N-[4-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4S)-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) 4.22 9.97 -45.83 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.22 9.3 -3.66 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4R)-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) 4.68 10.28 -33.12 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.68 9.31 -3.67 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4S)-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) 4.68 10.38 -34.16 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.68 9.8 -2.86 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4R)-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) 4.68 10.16 -36.63 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.68 9.52 -4.1 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4S)-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) 4.68 9.46 -35.35 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.68 9.67 -4.33 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4R)-N-[(1R,3S)-3-(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) 4.45 9.3 -44.5 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.45 8.83 -3.5 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4S)-N-[(1R,3S)-3-(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) 4.45 9.97 -44.17 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.45 9.3 -3.5 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4R)-N-[(1S,3S)-3-(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) 4.45 10.17 -42.88 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.45 9.09 -3.8 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,3S)-3-(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) 4.45 10.2 -43.57 2 1 1 17 316.412 3 ↓
Hi High (pH 8-9.5) 4.45 9.73 -3.77 1 1 0 12 315.404 3 ↓

Analogs

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Popular Name: 4-[[(4R)-isothiochroman-4-yl]amino]cyclohexanecarboxamide 4-[[(4R)-isothiochroman-4-yl]ami…

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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) 2.02 5.06 -51.64 4 3 1 60 291.44 3 ↓

Analogs

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Popular Name: 4-[[(4S)-isothiochroman-4-yl]amino]cyclohexanecarboxamide 4-[[(4S)-isothiochroman-4-yl]ami…

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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) 2.02 5.04 -51.91 4 3 1 60 291.44 3 ↓

Analogs

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Popular Name: (1S,3R)-3-[[(4R)-isothiochroman-4-yl]amino]cyclohexanol (1S,3R)-3-[[(4R)-isothiochroman-…

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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) 2.51 5.03 -40.4 3 2 1 37 264.414 2 ↓
Hi High (pH 8-9.5) 2.51 4.58 -4.1 2 2 0 32 263.406 2 ↓

Analogs

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Popular Name: (1S,3R)-3-[[(4S)-isothiochroman-4-yl]amino]cyclohexanol (1S,3R)-3-[[(4S)-isothiochroman-…

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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) 2.51 5.7 -39.6 3 2 1 37 264.414 2 ↓
Hi High (pH 8-9.5) 2.51 5.04 -3.88 2 2 0 32 263.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[[(4R)-isothiochroman-4-yl]amino]cyclohexanol (1S,3S)-3-[[(4R)-isothiochroman-…

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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) 2.51 5.85 -37.12 3 2 1 37 264.414 2 ↓
Hi High (pH 8-9.5) 2.51 4.7 -4.35 2 2 0 32 263.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[[(4S)-isothiochroman-4-yl]amino]cyclohexanol (1S,3S)-3-[[(4S)-isothiochroman-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.51 5.17 -38.75 3 2 1 37 264.414 2 ↓
Hi High (pH 8-9.5) 2.51 5.18 -4.05 2 2 0 32 263.406 2 ↓

Parameters Provided:

ring.id = 524347
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 = 524347 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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