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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

405331
405331
968262
968262
3830611
3830611
3830612
3830612
8551997
8551997

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Popular Name: Cyclandelate Cyclandelate

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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) 3.55 8.61 -5.61 1 3 0 47 276.376 4 ↓

Analogs

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Popular Name: cyclohexyl cyclohexyl

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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) 1.19 6.59 -5.48 2 3 0 52 233.311 4 ↓
Mid Mid (pH 6-8) 1.19 6.91 -42.23 3 3 1 54 234.319 4 ↓

Analogs

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Popular Name: cyclohexyl cyclohexyl

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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) 1.19 6.59 -4.85 2 3 0 52 233.311 4 ↓
Mid Mid (pH 6-8) 1.19 6.91 -42.22 3 3 1 54 234.319 4 ↓

Analogs

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Popular Name: (4-methylcyclohexyl) (4-methylcyclohexyl)

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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) 0.97 7.2 -5.34 2 3 0 52 247.338 4 ↓
Mid Mid (pH 6-8) 0.97 7.52 -42.34 3 3 1 54 248.346 4 ↓

Analogs

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Popular Name: (4-methylcyclohexyl) (4-methylcyclohexyl)

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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) 0.97 7.2 -4.66 2 3 0 52 247.338 4 ↓
Mid Mid (pH 6-8) 0.97 7.52 -42.21 3 3 1 54 248.346 4 ↓

Analogs

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Popular Name: [(1S,2R)-2-methylcyclohexyl] [(1S,2R)-2-methylcyclohexyl]

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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) 3.20 7.97 -6.43 2 3 0 52 247.338 4 ↓

Analogs

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Popular Name: [(1S,2S)-2-methylcyclohexyl] [(1S,2S)-2-methylcyclohexyl]

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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) 3.20 7.96 -6.71 2 3 0 52 247.338 4 ↓

Analogs

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Popular Name: [(1R,2R)-2-methylcyclohexyl] [(1R,2R)-2-methylcyclohexyl]

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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) 3.20 7.96 -6.7 2 3 0 52 247.338 4 ↓

Analogs

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Popular Name: [(1R,2S)-2-methylcyclohexyl] [(1R,2S)-2-methylcyclohexyl]

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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) 3.20 7.97 -6.38 2 3 0 52 247.338 4 ↓

Analogs

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Popular Name: [(1S,2R)-2-methylcyclohexyl] [(1S,2R)-2-methylcyclohexyl]

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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) 1.44 7.21 -4.52 2 3 0 52 247.338 4 ↓
Mid Mid (pH 6-8) 1.44 7.53 -42.24 3 3 1 54 248.346 4 ↓

Analogs

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Popular Name: [(1S,2S)-2-methylcyclohexyl] [(1S,2S)-2-methylcyclohexyl]

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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) 1.44 7.2 -4.74 2 3 0 52 247.338 4 ↓
Mid Mid (pH 6-8) 1.44 7.52 -42.19 3 3 1 54 248.346 4 ↓

Analogs

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Popular Name: [(1R,2R)-2-methylcyclohexyl] [(1R,2R)-2-methylcyclohexyl]

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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) 1.44 7.2 -4.75 2 3 0 52 247.338 4 ↓
Mid Mid (pH 6-8) 1.44 7.52 -42.13 3 3 1 54 248.346 4 ↓

Analogs

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Popular Name: [(1R,2S)-2-methylcyclohexyl] [(1R,2S)-2-methylcyclohexyl]

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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) 1.44 7.21 -4.53 2 3 0 52 247.338 4 ↓
Mid Mid (pH 6-8) 1.44 7.53 -42.22 3 3 1 54 248.346 4 ↓

Analogs

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Popular Name: [(1S,2R)-2-ethylcyclohexyl] [(1S,2R)-2-ethylcyclohexyl]

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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) 3.70 8.63 -6.37 2 3 0 52 261.365 5 ↓

Analogs

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Popular Name: [(1S,2S)-2-ethylcyclohexyl] [(1S,2S)-2-ethylcyclohexyl]

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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) 3.70 8.6 -6.6 2 3 0 52 261.365 5 ↓

Analogs

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Popular Name: [(1R,2R)-2-ethylcyclohexyl] [(1R,2R)-2-ethylcyclohexyl]

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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) 3.70 8.6 -6.61 2 3 0 52 261.365 5 ↓

Analogs

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Popular Name: [(1R,2S)-2-ethylcyclohexyl] [(1R,2S)-2-ethylcyclohexyl]

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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) 3.70 8.63 -6.33 2 3 0 52 261.365 5 ↓

Analogs

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Popular Name: [(1S,2R)-2-ethylcyclohexyl] [(1S,2R)-2-ethylcyclohexyl]

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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) 1.94 7.87 -5.11 2 3 0 52 261.365 5 ↓
Mid Mid (pH 6-8) 1.94 8.18 -42.35 3 3 1 54 262.373 5 ↓

Analogs

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Popular Name: [(1S,2S)-2-ethylcyclohexyl] [(1S,2S)-2-ethylcyclohexyl]

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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) 1.94 7.84 -5.37 2 3 0 52 261.365 5 ↓
Mid Mid (pH 6-8) 1.94 8.16 -42.31 3 3 1 54 262.373 5 ↓

Analogs

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Popular Name: [(1R,2R)-2-ethylcyclohexyl] [(1R,2R)-2-ethylcyclohexyl]

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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) 1.94 7.84 -5.37 2 3 0 52 261.365 5 ↓
Mid Mid (pH 6-8) 1.94 8.16 -42.11 3 3 1 54 262.373 5 ↓

Analogs

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Popular Name: [(1R,2S)-2-ethylcyclohexyl] [(1R,2S)-2-ethylcyclohexyl]

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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) 1.94 7.86 -5.15 2 3 0 52 261.365 5 ↓
Mid Mid (pH 6-8) 1.94 8.18 -42.27 3 3 1 54 262.373 5 ↓

Analogs

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Popular Name: cyclohexyl cyclohexyl

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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) 3.52 7.06 -5.55 2 3 0 52 247.338 4 ↓
Mid Mid (pH 6-8) 3.52 7.34 -45.05 3 3 1 54 248.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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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) 3.52 7.08 -5.23 2 3 0 52 247.338 4 ↓
Mid Mid (pH 6-8) 3.52 7.34 -45.14 3 3 1 54 248.346 4 ↓

Analogs

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Popular Name: (4-methylcyclohexyl) (4-methylcyclohexyl)

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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) 3.29 7.69 -4.96 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.29 7.95 -45.93 3 3 1 54 262.373 4 ↓

Analogs

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Popular Name: (4-methylcyclohexyl) (4-methylcyclohexyl)

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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) 3.29 7.66 -5.21 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.29 7.95 -45.86 3 3 1 54 262.373 4 ↓

Analogs

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Popular Name: [(1S,2R)-2-methylcyclohexyl] [(1S,2R)-2-methylcyclohexyl]

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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) 3.76 7.71 -4.92 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.76 7.97 -46.14 3 3 1 54 262.373 4 ↓

Analogs

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Popular Name: [(1S,2S)-2-methylcyclohexyl] [(1S,2S)-2-methylcyclohexyl]

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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) 3.76 7.69 -5.14 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.76 7.96 -45.53 3 3 1 54 262.373 4 ↓

Analogs

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Popular Name: [(1R,2R)-2-methylcyclohexyl] [(1R,2R)-2-methylcyclohexyl]

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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) 3.76 7.69 -5.19 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.76 7.96 -45.33 3 3 1 54 262.373 4 ↓

Analogs

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Popular Name: [(1R,2S)-2-methylcyclohexyl] [(1R,2S)-2-methylcyclohexyl]

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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) 3.76 7.71 -4.98 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.76 7.97 -46.07 3 3 1 54 262.373 4 ↓

Analogs

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Popular Name: [(1S,2R)-2-ethylcyclohexyl] [(1S,2R)-2-ethylcyclohexyl]

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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) 4.26 8.34 -5.13 2 3 0 52 275.392 5 ↓
Mid Mid (pH 6-8) 4.26 8.62 -46.5 3 3 1 54 276.4 5 ↓

Analogs

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Popular Name: [(1S,2S)-2-ethylcyclohexyl] [(1S,2S)-2-ethylcyclohexyl]

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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) 4.26 8.31 -5.44 2 3 0 52 275.392 5 ↓
Mid Mid (pH 6-8) 4.26 8.59 -45.56 3 3 1 54 276.4 5 ↓

Analogs

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Popular Name: [(1R,2R)-2-ethylcyclohexyl] [(1R,2R)-2-ethylcyclohexyl]

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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) 4.26 8.31 -5.41 2 3 0 52 275.392 5 ↓
Mid Mid (pH 6-8) 4.26 8.59 -45.38 3 3 1 54 276.4 5 ↓

Analogs

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Popular Name: [(1R,2S)-2-ethylcyclohexyl] [(1R,2S)-2-ethylcyclohexyl]

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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) 4.26 8.34 -5.16 2 3 0 52 275.392 5 ↓
Mid Mid (pH 6-8) 4.26 8.62 -46.28 3 3 1 54 276.4 5 ↓

Analogs

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Popular Name: [(1S,5S)-3,3,5-trimethylcyclohexyl] [(1S,5S)-3,3,5-trimethylcyclohexyl]

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.18 8.58 -4.92 2 3 0 52 289.419 4 ↓
Mid Mid (pH 6-8) 4.18 8.84 -45.15 3 3 1 54 290.427 4 ↓

Analogs

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Popular Name: [(1S,5R)-3,3,5-trimethylcyclohexyl] [(1S,5R)-3,3,5-trimethylcyclohexyl]

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.18 8.73 -4.58 2 3 0 52 289.419 4 ↓
Mid Mid (pH 6-8) 4.18 8.99 -46.23 3 3 1 54 290.427 4 ↓

Analogs

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Popular Name: [(1R,5S)-3,3,5-trimethylcyclohexyl] [(1R,5S)-3,3,5-trimethylcyclohexyl]

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.18 8.54 -4.98 2 3 0 52 289.419 4 ↓
Mid Mid (pH 6-8) 4.18 8.8 -45.08 3 3 1 54 290.427 4 ↓

Analogs

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Popular Name: [(1R,5R)-3,3,5-trimethylcyclohexyl] [(1R,5R)-3,3,5-trimethylcyclohexyl]

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.18 8.58 -4.97 2 3 0 52 289.419 4 ↓
Mid Mid (pH 6-8) 4.18 8.84 -45.11 3 3 1 54 290.427 4 ↓

Analogs

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Popular Name: [(1S,3R)-3-methylcyclohexyl] [(1S,3R)-3-methylcyclohexyl]

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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) 3.53 7.69 -5.07 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.53 7.95 -45.1 3 3 1 54 262.373 4 ↓

Analogs

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Popular Name: [(1S,3S)-3-methylcyclohexyl] [(1S,3S)-3-methylcyclohexyl]

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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) 3.53 7.7 -4.88 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.53 7.96 -45.7 3 3 1 54 262.373 4 ↓

Analogs

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Popular Name: [(1R,3R)-3-methylcyclohexyl] [(1R,3R)-3-methylcyclohexyl]

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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) 3.53 7.7 -4.87 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.53 7.96 -45.87 3 3 1 54 262.373 4 ↓

Analogs

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Popular Name: [(1R,3S)-3-methylcyclohexyl] [(1R,3S)-3-methylcyclohexyl]

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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) 3.53 7.69 -5.09 2 3 0 52 261.365 4 ↓
Mid Mid (pH 6-8) 3.53 7.95 -45.04 3 3 1 54 262.373 4 ↓

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Popular Name: (4-methylcyclohexyl) (4-methylcyclohexyl)

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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) 2.71 7.94 -6.49 2 3 0 52 247.338 4 ↓

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Popular Name: [(1S,2R)-2-methylcyclohexyl] [(1S,2R)-2-methylcyclohexyl]

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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) 3.18 7.96 -6.53 2 3 0 52 247.338 4 ↓

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Popular Name: [(1S,2S)-2-methylcyclohexyl] [(1S,2S)-2-methylcyclohexyl]

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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) 3.18 7.95 -6.78 2 3 0 52 247.338 4 ↓

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Popular Name: [(1R,2R)-2-methylcyclohexyl] [(1R,2R)-2-methylcyclohexyl]

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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) 3.18 7.95 -6.76 2 3 0 52 247.338 4 ↓

Analogs

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Popular Name: [(1R,2S)-2-methylcyclohexyl] [(1R,2S)-2-methylcyclohexyl]

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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) 3.18 7.96 -6.5 2 3 0 52 247.338 4 ↓

Analogs

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Popular Name: [(1S,2R)-2-ethylcyclohexyl] [(1S,2R)-2-ethylcyclohexyl]

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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) 3.68 8.62 -6.42 2 3 0 52 261.365 5 ↓

Analogs

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Popular Name: [(1S,2S)-2-ethylcyclohexyl] [(1S,2S)-2-ethylcyclohexyl]

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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) 3.68 8.59 -6.71 2 3 0 52 261.365 5 ↓

Analogs

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Popular Name: [(1R,2R)-2-ethylcyclohexyl] [(1R,2R)-2-ethylcyclohexyl]

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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) 3.68 8.59 -6.68 2 3 0 52 261.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-ethylcyclohexyl] [(1R,2S)-2-ethylcyclohexyl]

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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) 3.68 8.62 -6.43 2 3 0 52 261.365 5 ↓

Parameters Provided:

ring.id = 158
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 = 158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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