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Analogs

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Popular Name: (4S,6R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4,6-dimethyl-1,5-diazocane (4S,6R)-1-[(1S)-2-cyclopropyl-1-…

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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) 2.66 8.32 -98.03 3 2 2 21 226.408 3 ↓
Mid Mid (pH 6-8) 2.66 7.94 -31.11 2 2 1 20 225.4 3 ↓

Analogs

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Popular Name: (4S,6S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4,6-dimethyl-1,5-diazocane (4S,6S)-1-[(1S)-2-cyclopropyl-1-…

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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) 2.66 7.97 -98.59 3 2 2 21 226.408 3 ↓
Mid Mid (pH 6-8) 2.66 6.79 -31.42 2 2 1 20 225.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4,6-dimethyl-1,5-diazocane (4R,6R)-1-[(1S)-2-cyclopropyl-1-…

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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) 2.66 7.81 -98.76 3 2 2 21 226.408 3 ↓
Mid Mid (pH 6-8) 2.66 6.67 -31.45 2 2 1 20 225.4 3 ↓

Analogs

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Popular Name: (4R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-ethyl-1,5-diazocane (4R)-1-[(1S)-2-cyclopropyl-1-met…

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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) 2.87 7.15 -30.94 2 2 1 20 225.4 4 ↓
Mid Mid (pH 6-8) 2.87 8.44 -102.59 3 2 2 21 226.408 4 ↓

Analogs

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Popular Name: (4S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-ethyl-1,5-diazocane (4S)-1-[(1S)-2-cyclopropyl-1-met…

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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) 2.87 7.76 -32.43 2 2 1 20 225.4 4 ↓
Mid Mid (pH 6-8) 2.87 8.31 -99.71 3 2 2 21 226.408 4 ↓

Analogs

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Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1,5-diazocane 1-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 1.65 6.32 -34.83 2 2 1 20 197.346 3 ↓
Mid Mid (pH 6-8) 1.65 5.47 -28.53 2 2 1 16 197.346 3 ↓
Mid Mid (pH 6-8) 1.65 6.84 -100.58 3 2 2 21 198.354 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1,5-diazocane 1-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 1.65 6.01 -33.59 2 2 1 20 197.346 3 ↓
Mid Mid (pH 6-8) 1.65 5.75 -30.32 2 2 1 16 197.346 3 ↓
Mid Mid (pH 6-8) 1.65 7.13 -103.69 3 2 2 21 198.354 3 ↓

Analogs

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Popular Name: (3S,7R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-3,7-dimethyl-1,5-diazocane (3S,7R)-1-[(1S)-2-cyclopropyl-1-…

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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) 2.60 6.27 -35.22 2 2 1 20 225.4 3 ↓
Mid Mid (pH 6-8) 2.60 8.07 -102.51 3 2 2 21 226.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-3,7-dimethyl-1,5-diazocane (3S,7S)-1-[(1S)-2-cyclopropyl-1-…

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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) 2.60 6.63 -33.27 2 2 1 20 225.4 3 ↓
Mid Mid (pH 6-8) 2.60 7.98 -102.54 3 2 2 21 226.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-3,7-dimethyl-1,5-diazocane (3R,7R)-1-[(1S)-2-cyclopropyl-1-…

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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) 2.60 6.83 -33.43 2 2 1 20 225.4 3 ↓
Mid Mid (pH 6-8) 2.60 8.12 -103.14 3 2 2 21 226.408 3 ↓

Analogs

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Popular Name: (4R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-4-methyl-1,5-diazocane (4R)-1-[(1S)-1-(cyclopropylmethy…

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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) 2.87 8.1 -101.76 3 2 2 21 226.408 4 ↓
Mid Mid (pH 6-8) 2.87 6.95 -31.35 2 2 1 20 225.4 4 ↓

Analogs

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Popular Name: (4R)-1-[(1R)-1-(cyclopropylmethyl)propyl]-4-methyl-1,5-diazocane (4R)-1-[(1R)-1-(cyclopropylmethy…

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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) 2.87 8.16 -103.48 3 2 2 21 226.408 4 ↓
Mid Mid (pH 6-8) 2.87 7.04 -31.86 2 2 1 20 225.4 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-1,5-diazocane 1-[(1S)-1-(cyclopropylmethyl)pro…

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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) 2.19 7.5 -102.84 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.19 6.14 -29.5 2 2 1 16 211.373 4 ↓
Mid Mid (pH 6-8) 2.19 6.35 -33.29 2 2 1 20 211.373 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-1,5-diazocane 1-[(1R)-1-(cyclopropylmethyl)pro…

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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) 2.19 7.56 -104.58 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.19 6.19 -29.64 2 2 1 16 211.373 4 ↓
Mid Mid (pH 6-8) 2.19 6.44 -33.89 2 2 1 20 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-methyl-1,5-diazocane (4R)-1-[(1S)-2-cyclopropyl-1-met…

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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) 2.33 6.33 -31.23 2 2 1 20 211.373 3 ↓
Mid Mid (pH 6-8) 2.33 7.62 -101.49 3 2 2 21 212.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-methyl-1,5-diazocane (4S)-1-[(1S)-2-cyclopropyl-1-met…

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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) 2.33 6.94 -32.88 2 2 1 20 211.373 3 ↓
Mid Mid (pH 6-8) 2.33 7.5 -99.02 3 2 2 21 212.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-ethyl-6-methyl-1,5-diazocane (4R,6S)-1-[(1S)-2-cyclopropyl-1-…

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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 7.53 -29.23 2 2 1 20 239.427 4 ↓
Mid Mid (pH 6-8) 3.20 8.83 -99.63 3 2 2 21 240.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-ethyl-6-methyl-1,5-diazocane (4S,6S)-1-[(1S)-2-cyclopropyl-1-…

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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 7.71 -31.14 2 2 1 20 239.427 4 ↓
Mid Mid (pH 6-8) 3.20 8.83 -99.64 3 2 2 21 240.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-ethyl-3-methyl-1,5-diazocane (3R,6R)-1-[(1S)-2-cyclopropyl-1-…

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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) 3.34 7.7 -30.93 2 2 1 20 239.427 4 ↓
Mid Mid (pH 6-8) 3.34 8.98 -102.72 3 2 2 21 240.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-ethyl-3-methyl-1,5-diazocane (3R,6S)-1-[(1S)-2-cyclopropyl-1-…

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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) 3.34 8.32 -32.17 2 2 1 20 239.427 4 ↓
Mid Mid (pH 6-8) 3.34 8.86 -99.38 3 2 2 21 240.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-4-ethyl-6-methyl-1,5-diazocane (4R,6S)-1-[(1S)-1-(cyclopropylme…

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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) 3.73 9.32 -98.21 3 2 2 21 254.462 5 ↓
Mid Mid (pH 6-8) 3.73 8.96 -30.31 2 2 1 20 253.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-4-ethyl-6-methyl-1,5-diazocane (4S,6S)-1-[(1S)-1-(cyclopropylme…

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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) 3.73 9.16 -99.28 3 2 2 21 254.462 5 ↓
Mid Mid (pH 6-8) 3.73 8.25 -31.1 2 2 1 20 253.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-4,6-dimethyl-1,5-diazocane (4S,6R)-1-[(1S)-1-(cyclopropylme…

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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 8.51 -97.72 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.20 8.24 -30.85 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6R)-1-[(1R)-1-(cyclopropylmethyl)propyl]-4,6-dimethyl-1,5-diazocane (4S,6R)-1-[(1R)-1-(cyclopropylme…

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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 8.69 -100.79 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.20 7.71 -30.14 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-4,6-dimethyl-1,5-diazocane (4R,6R)-1-[(1S)-1-(cyclopropylme…

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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 8.25 -98.6 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.20 7.36 -31.71 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6R)-1-[(1R)-1-(cyclopropylmethyl)propyl]-4,6-dimethyl-1,5-diazocane (4R,6R)-1-[(1R)-1-(cyclopropylme…

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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 8.45 -100.44 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.20 7.37 -32.03 2 2 1 20 239.427 4 ↓

Analogs

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Popular Name: (3S,6S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-3,6-dimethyl-1,5-diazocane (3S,6S)-1-[(1S)-1-(cyclopropylme…

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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) 3.34 8.24 -100.16 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.34 7.16 -33.83 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[(1R)-1-(cyclopropylmethyl)propyl]-3,6-dimethyl-1,5-diazocane (3S,6S)-1-[(1R)-1-(cyclopropylme…

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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) 3.34 8.38 -101.81 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.34 7.47 -33.93 2 2 1 20 239.427 4 ↓

Analogs

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Popular Name: (4R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-4-ethyl-1,5-diazocane (4R)-1-[(1S)-1-(cyclopropylmethy…

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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) 3.40 8.43 -100.8 3 2 2 21 240.435 5 ↓
Mid Mid (pH 6-8) 3.40 7.52 -33.62 2 2 1 20 239.427 5 ↓

Analogs

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Popular Name: (4S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-4-ethyl-1,5-diazocane (4S)-1-[(1S)-1-(cyclopropylmethy…

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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) 3.40 8.67 -100.32 3 2 2 21 240.435 5 ↓
Mid Mid (pH 6-8) 3.40 8.4 -32.49 2 2 1 20 239.427 5 ↓

Analogs

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Popular Name: (3R,6R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-6-ethyl-3-methyl-1,5-diazocane (3R,6R)-1-[(1S)-1-(cyclopropylme…

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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) 3.88 8.99 -100.59 3 2 2 21 254.462 5 ↓
Mid Mid (pH 6-8) 3.88 8 -33.36 2 2 1 20 253.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-6-ethyl-3-methyl-1,5-diazocane (3R,6S)-1-[(1S)-1-(cyclopropylme…

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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) 3.88 9.27 -100.52 3 2 2 21 254.462 5 ↓
Mid Mid (pH 6-8) 3.88 8.39 -32.04 2 2 1 20 253.454 5 ↓

Analogs

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Popular Name: (3S,7R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-3,7-dimethyl-1,5-diazocane (3S,7R)-1-[(1S)-1-(cyclopropylme…

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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) 3.14 8.47 -98.93 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.14 6.86 -34.64 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7R)-1-[(1R)-1-(cyclopropylmethyl)propyl]-3,7-dimethyl-1,5-diazocane (3S,7R)-1-[(1R)-1-(cyclopropylme…

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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) 3.14 8.6 -102.99 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.14 6.91 -35.6 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-3,7-dimethyl-1,5-diazocane (3S,7S)-1-[(1S)-1-(cyclopropylme…

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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) 3.14 8.48 -103.42 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.14 7.39 -33.37 2 2 1 20 239.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7S)-1-[(1R)-1-(cyclopropylmethyl)propyl]-3,7-dimethyl-1,5-diazocane (3S,7S)-1-[(1R)-1-(cyclopropylme…

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) 3.14 8.54 -103.5 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.14 7.29 -33.47 2 2 1 20 239.427 4 ↓

Parameters Provided:

ring.id = 389256
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 = 389256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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