UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32107267
32107267
34658720
34658720

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Popular Name: 3,4,5,6-tetrahydro-2H-1,5-benzoxazocine 3,4,5,6-tetrahydro-2H-1,5-benzox…

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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) 1.64 4.15 -38.58 2 2 1 26 164.228 0 ↓

Analogs

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Popular Name: (6S)-6-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-methyl-3,4,5,6-tetrahydro…

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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) 2.20 -0.59 -35.76 2 2 1 26 178.255 0 ↓

Analogs

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Popular Name: (6R)-6-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-methyl-3,4,5,6-tetrahydro…

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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) 2.20 -0.62 -35.34 2 2 1 26 178.255 0 ↓

Analogs

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Popular Name: (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-ethyl-3,4,5,6-tetrahydro-…

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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) 1.80 5.5 -34.23 2 2 1 26 192.282 1 ↓

Analogs

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Popular Name: (6R)-6-ethyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-ethyl-3,4,5,6-tetrahydro-…

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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) 1.80 5.43 -33.75 2 2 1 26 192.282 1 ↓

Analogs

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Popular Name: (6S)-6-isopropyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-isopropyl-3,4,5,6-tetrahy…

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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) 2.94 0.45 -33.57 2 2 1 26 206.309 1 ↓

Analogs

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Popular Name: (6R)-6-isopropyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-isopropyl-3,4,5,6-tetrahy…

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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) 2.94 0.44 -33.69 2 2 1 26 206.309 1 ↓

Analogs

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Popular Name: (6S)-6-cyclopropyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-cyclopropyl-3,4,5,6-tetra…

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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) 2.69 -0.17 -34.03 2 2 1 26 204.293 1 ↓

Analogs

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Popular Name: (6R)-6-cyclopropyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-cyclopropyl-3,4,5,6-tetra…

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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) 2.69 -0.67 -33.67 2 2 1 26 204.293 1 ↓

Analogs

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Popular Name: (6S)-6-cyclohexyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-cyclohexyl-3,4,5,6-tetrah…

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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 -0.03 -35.45 2 2 1 26 246.374 1 ↓

Analogs

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Popular Name: (6R)-6-cyclohexyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-cyclohexyl-3,4,5,6-tetrah…

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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 -0.03 -35.64 2 2 1 26 246.374 1 ↓

Analogs

34821078
34821078
34821080
34821080
34821223
34821223
34821265
34821265
34821267
34821267

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Popular Name: (6S)-6-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-phenyl-3,4,5,6-tetrahydro…

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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) 3.42 -0.01 -35.9 2 2 1 26 240.326 1 ↓

Analogs

34821078
34821078
34821080
34821080
34821144
34821144
34821146
34821146
34821148
34821148

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Popular Name: (6R)-6-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-phenyl-3,4,5,6-tetrahydro…

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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) 3.42 -0.07 -35.36 2 2 1 26 240.326 1 ↓

Analogs

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Popular Name: (6S)-6-(o-tolyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(o-tolyl)-3,4,5,6-tetrahy…

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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) 3.82 0.04 -35.1 2 2 1 26 254.353 1 ↓

Analogs

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Popular Name: (6R)-6-(o-tolyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(o-tolyl)-3,4,5,6-tetrahy…

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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) 3.82 0.52 -34.06 2 2 1 26 254.353 1 ↓

Analogs

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Popular Name: (6S)-6-(m-tolyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(m-tolyl)-3,4,5,6-tetrahy…

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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) 3.84 0.28 -35.77 2 2 1 26 254.353 1 ↓

Analogs

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Popular Name: (6R)-6-(m-tolyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(m-tolyl)-3,4,5,6-tetrahy…

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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) 3.84 0.24 -35.39 2 2 1 26 254.353 1 ↓

Analogs

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Popular Name: (6S)-6-(p-tolyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(p-tolyl)-3,4,5,6-tetrahy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 0.31 -35.98 2 2 1 26 254.353 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-(p-tolyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(p-tolyl)-3,4,5,6-tetrahy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 0.25 -35.37 2 2 1 26 254.353 1 ↓

Analogs

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Popular Name: (6R)-6-(2-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(2-fluorophenyl)-3,4,5,6-…

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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 0.68 -36.07 2 2 1 26 258.316 1 ↓

Analogs

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Popular Name: (6S)-6-(2-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(2-fluorophenyl)-3,4,5,6-…

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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 0.37 -30.28 2 2 1 26 258.316 1 ↓

Analogs

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Popular Name: (6S)-6-(3-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(3-fluorophenyl)-3,4,5,6-…

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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) 3.56 0.73 -39.52 2 2 1 26 258.316 1 ↓

Analogs

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Popular Name: (6R)-6-(3-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(3-fluorophenyl)-3,4,5,6-…

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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) 3.56 0.66 -38.89 2 2 1 26 258.316 1 ↓

Analogs

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Popular Name: (6S)-6-(4-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(4-fluorophenyl)-3,4,5,6-…

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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) 3.58 0.7 -40.79 2 2 1 26 258.316 1 ↓

Analogs

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Popular Name: (6R)-6-(4-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(4-fluorophenyl)-3,4,5,6-…

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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) 3.58 0.67 -40.32 2 2 1 26 258.316 1 ↓

Analogs

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Popular Name: (6R)-6-(2-chlorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(2-chlorophenyl)-3,4,5,6-…

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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) 4.05 -0.37 -29.3 2 2 1 26 274.771 1 ↓

Analogs

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Popular Name: (6S)-6-(2-chlorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(2-chlorophenyl)-3,4,5,6-…

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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) 4.05 -0.42 -29.14 2 2 1 26 274.771 1 ↓

Analogs

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Popular Name: (6S)-6-(3-chlorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(3-chlorophenyl)-3,4,5,6-…

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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) 4.07 -0.16 -38.65 2 2 1 26 274.771 1 ↓

Analogs

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Popular Name: (6R)-6-(3-chlorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(3-chlorophenyl)-3,4,5,6-…

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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) 4.07 -0.22 -38.04 2 2 1 26 274.771 1 ↓

Analogs

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Popular Name: (6S)-6-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(4-chlorophenyl)-3,4,5,6-…

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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) 4.09 -0.19 -39.93 2 2 1 26 274.771 1 ↓

Analogs

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Popular Name: (6R)-6-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(4-chlorophenyl)-3,4,5,6-…

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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) 4.09 -0.22 -39.45 2 2 1 26 274.771 1 ↓

Analogs

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Popular Name: (6S)-6-(2-methoxyphenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(2-methoxyphenyl)-3,4,5,6…

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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) 3.42 0.44 -32.44 2 3 1 35 270.352 2 ↓

Analogs

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Popular Name: (6R)-6-(2-methoxyphenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(2-methoxyphenyl)-3,4,5,6…

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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) 3.42 0.35 -32.07 2 3 1 35 270.352 2 ↓

Analogs

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Popular Name: (6S)-6-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(3-methoxyphenyl)-3,4,5,6…

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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) 3.45 0.01 -37.07 2 3 1 35 270.352 2 ↓

Analogs

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Popular Name: (6R)-6-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(3-methoxyphenyl)-3,4,5,6…

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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) 3.45 -0.02 -36.82 2 3 1 35 270.352 2 ↓

Analogs

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Popular Name: (6S)-6-(4-methoxyphenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(4-methoxyphenyl)-3,4,5,6…

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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) 3.47 0.01 -38.92 2 3 1 35 270.352 2 ↓

Analogs

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Popular Name: (6R)-6-(4-methoxyphenyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(4-methoxyphenyl)-3,4,5,6…

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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) 3.47 -0.05 -38.28 2 3 1 35 270.352 2 ↓

Analogs

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Popular Name: (6R)-6-(2-thienyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6R)-6-(2-thienyl)-3,4,5,6-tetra…

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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 -1.17 -34.47 2 2 1 26 246.355 1 ↓

Analogs

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Popular Name: (6S)-6-(2-thienyl)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine (6S)-6-(2-thienyl)-3,4,5,6-tetra…

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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 -1.17 -33.98 2 2 1 26 246.355 1 ↓

Analogs

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Popular Name: (10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-[1-(4-methylquinazolin-2-yl)-4-piperidyl]metha (10-methoxy-2,3,4,6-tetrahydro-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) 4.19 -1.31 -20.11 0 7 0 68 446.551 3 ↓

Analogs

11843066
11843066

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Popular Name: (10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]triazol- (10-methoxy-2,3,4,6-tetrahydro-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) 1.25 0.68 -16.53 0 8 0 79 372.425 4 ↓

Analogs

11843065
11843065

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Popular Name: (10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]triazol- (10-methoxy-2,3,4,6-tetrahydro-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) 1.25 0.58 -16.35 0 8 0 79 372.425 4 ↓

Analogs

11973186
11973186

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Popular Name: (5S)-5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-1-(p-tolylmethyl)azepan-2-one (5S)-5-(10-methoxy-2,3,4,6-tetra…

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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 1.61 -51.04 1 5 1 43 409.55 4 ↓

Analogs

11973180
11973180

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Popular Name: (5R)-5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-1-(p-tolylmethyl)azepan-2-one (5R)-5-(10-methoxy-2,3,4,6-tetra…

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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 1.58 -51.29 1 5 1 43 409.55 4 ↓

Analogs

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Popular Name: 1-cyclohexyl-5-(10-methoxy2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)-N-methyl-4-oxo-pyridine-3 1-cyclohexyl-5-(10-methoxy2,3,4,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 0.62 -38.99 1 8 0 90 453.539 4 ↓

Analogs

11977258
11977258

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Popular Name: N-ethyl-5-(10-methoxy2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)-4-oxo-1-sec-butyl-pyridine-3-c N-ethyl-5-(10-methoxy2,3,4,6-tet…

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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) 1.46 1.43 -39.77 1 8 0 90 441.528 6 ↓

Analogs

11977252
11977252

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Popular Name: N-ethyl-5-(10-methoxy2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)-4-oxo-1-sec-butyl-pyridine-3-c N-ethyl-5-(10-methoxy2,3,4,6-tet…

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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) 1.46 1.42 -39.25 1 8 0 90 441.528 6 ↓

Analogs

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Popular Name: N-[4-[4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-1-piperidyl]phenyl]cyclopentanecarboxa N-[4-[4-(10-methoxy-2,3,4,6-tetr…

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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) 4.77 -1.57 -44.41 2 6 1 55 464.63 5 ↓

Analogs

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Popular Name: N-allyl-5-(10-methoxy2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)-1-[(5-methyl-2-furyl)methyl]-4 N-allyl-5-(10-methoxy2,3,4,6-tet…

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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) 1.56 2.36 -40.32 1 9 0 103 491.544 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-oxo-ethyl]pyrazol-4-yl]pyridine-2-ca N-[1-[2-(10-methoxy-2,3,4,6-tetr…

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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) 0.74 -0.5 -29.41 1 9 0 99 421.457 5 ↓

Parameters Provided:

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

SQL Query Was

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