Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_6jtq70jvit45sfthsi4elf2ie6, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-bromo-6-methoxy-4,5-dihydro-3-benzoxepin-1-one 9-bromo-6-methoxy-4,5-dihydro-3-…

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) 2.21 4.34 -7.18 0 3 0 36 271.11 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-bromo-6-ethoxy-4,5-dihydro-3-benzoxepin-1-one 9-bromo-6-ethoxy-4,5-dihydro-3-b…

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) 2.58 5.28 -6.77 0 3 0 36 285.137 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methoxy-6-methyl-1,2-dihydro-3-benzoxepin-5-one 9-methoxy-6-methyl-1,2-dihydro-3…

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) 1.85 4.35 -7.12 0 3 0 36 206.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethoxy-9-methyl-4,5-dihydro-3-benzoxepin-1-one 6-ethoxy-9-methyl-4,5-dihydro-3-…

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) 2.22 5.3 -6.84 0 3 0 36 220.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methoxy-1,2-dihydro-3-benzoxepin-5-one 7-methoxy-1,2-dihydro-3-benzoxep…

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) 1.47 3.68 -8.57 0 3 0 36 192.214 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-ethoxy-1,2-dihydro-3-benzoxepin-5-one 7-ethoxy-1,2-dihydro-3-benzoxepi…

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) 1.85 4.61 -8.41 0 3 0 36 206.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-isopropoxy-1,2-dihydro-3-benzoxepin-5-one 7-isopropoxy-1,2-dihydro-3-benzo…

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) 2.21 5.23 -7.45 0 3 0 36 220.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-bromo-8-methoxy-4,5-dihydro-3-benzoxepin-1-one 6-bromo-8-methoxy-4,5-dihydro-3-…

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) 2.21 3.97 -5.98 0 3 0 36 271.11 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-8-methoxy-4,5-dihydro-3-benzoxepin-1-one 6-chloro-8-methoxy-4,5-dihydro-3…

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) 2.08 3.9 -6.11 0 3 0 36 226.659 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dimethoxy-1,2-dihydro-3-benzoxepin-5-one 7,8-dimethoxy-1,2-dihydro-3-benz…

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) 1.06 3.62 -9.74 0 4 0 45 222.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-8-methoxy-4,5-dihydro-3-benzoxepin-1-one 6-fluoro-8-methoxy-4,5-dihydro-3…

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) 1.56 3.49 -6.13 0 3 0 36 210.204 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methoxy-1,2-dihydrobenzo[g][3]benzoxepin-5-one 7-methoxy-1,2-dihydrobenzo[g][3]…

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) 2.58 5.64 -9.09 0 3 0 36 242.274 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,9-dimethoxy-4,5-dihydro-3-benzoxepin-1-one 6,9-dimethoxy-4,5-dihydro-3-benz…

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) 1.46 3.12 -9.65 0 4 0 45 222.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8-dimethoxy-4,5-dihydro-3-benzoxepin-1-one 6,8-dimethoxy-4,5-dihydro-3-benz…

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) 1.46 3.08 -8.17 0 4 0 45 222.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-diethoxy-1,2-dihydro-3-benzoxepin-5-one 7,8-diethoxy-1,2-dihydro-3-benzo…

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) 1.81 5.45 -9.38 0 4 0 45 250.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8,9-dimethoxy-6-methyl-4,5-dihydro-3-benzoxepin-1-one 8,9-dimethoxy-6-methyl-4,5-dihyd…

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) 1.63 4.56 -10.37 0 4 0 45 236.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,6,7-tetrahydro-[1,4]dioxino[2,3-h][3]benzoxepin-10-one 2,3,6,7-tetrahydro-[1,4]dioxino[…

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) 0.92 3.54 -9 0 4 0 45 220.224 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-bromo-2,3,7,8-tetrahydro-[1,4]dioxino[2,3-i][3]benzoxepin-11-one 6-bromo-2,3,7,8-tetrahydro-[1,4]…

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) 1.86 4.51 -8.41 0 4 0 45 299.12 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BLAHone BLAHone

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) 1.19 4.35 -9.62 0 4 0 45 234.251 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dihydro-3-benzoxepin-1-one 4,5-dihydro-3-benzoxepin-1-one

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) 1.44 4.39 -6.88 0 2 0 26 162.188 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-phenyl-1,2-dihydro-3-benzoxepin-5-one 7-phenyl-1,2-dihydro-3-benzoxepi…

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) 3.21 7.8 -8.33 0 2 0 26 238.286 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-phenoxy-1,2-dihydro-3-benzoxepin-5-one 7-phenoxy-1,2-dihydro-3-benzoxep…

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) 3.17 7.3 -9.24 0 3 0 36 254.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1,2-dihydro-3-benzoxepin-5-one 7-chloro-1,2-dihydro-3-benzoxepi…

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) 2.09 4.91 -6.9 0 2 0 26 196.633 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-bromo-6,7-dimethoxy-1,2-dihydro-3-benzoxepin-5-one 9-bromo-6,7-dimethoxy-1,2-dihydr…

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) 1.99 4.51 -7.19 0 4 0 45 301.136 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-1,2-dihydro-3-benzoxepin-5-one 7-fluoro-1,2-dihydro-3-benzoxepi…

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) 1.58 4.46 -7.46 0 2 0 26 180.178 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1,2-dihydro-3-benzoxepin-5-one 7-bromo-1,2-dihydro-3-benzoxepin…

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) 2.22 5.02 -6.86 0 2 0 26 241.084 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-ethyl-1,2-dihydro-3-benzoxepin-5-one 7-ethyl-1,2-dihydro-3-benzoxepin…

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) 2.33 5.82 -6.78 0 2 0 26 190.242 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,9-difluoro-1,2-dihydro-3-benzoxepin-5-one 7,9-difluoro-1,2-dihydro-3-benzo…

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) 1.67 4.26 -4.83 0 2 0 26 198.168 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,9-dibromo-4,5-dihydro-3-benzoxepin-1-one 6,9-dibromo-4,5-dihydro-3-benzox…

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) 2.96 5.27 -5.38 0 2 0 26 319.98 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-isopropyl-1,2-dihydro-3-benzoxepin-5-one 7-isopropyl-1,2-dihydro-3-benzox…

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) 2.92 6.3 -6.61 0 2 0 26 204.269 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,9-dichloro-4,5-dihydro-3-benzoxepin-1-one 6,9-dichloro-4,5-dihydro-3-benzo…

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) 2.70 5.09 -5.7 0 2 0 26 231.078 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7,8-trimethoxy-4,5-dihydro-3-benzoxepin-1-one 6,7,8-trimethoxy-4,5-dihydro-3-b…

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) 1.24 3.66 -8.27 0 5 0 54 252.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,9-difluoro-4,5-dihydro-3-benzoxepin-1-one 6,9-difluoro-4,5-dihydro-3-benzo…

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) 1.67 4.24 -7.2 0 2 0 26 198.168 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-methylpropyl]-1,2-dihydro-3-benzoxepin-5-one 7-[(1R)-1-methylpropyl]-1,2-dihy…

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) 3.27 6.96 -6.53 0 2 0 26 218.296 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1S)-1-methylpropyl]-1,2-dihydro-3-benzoxepin-5-one 7-[(1S)-1-methylpropyl]-1,2-dihy…

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) 3.27 6.96 -6.51 0 2 0 26 218.296 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,9-dichloro-1,2-dihydro-3-benzoxepin-5-one 7,9-dichloro-1,2-dihydro-3-benzo…

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) 2.70 5.09 -4.5 0 2 0 26 231.078 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-tert-butyl-1,2-dihydro-3-benzoxepin-5-one 7-tert-butyl-1,2-dihydro-3-benzo…

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) 3.12 6.71 -6.53 0 2 0 26 218.296 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-propyl-1,2-dihydro-3-benzoxepin-5-one 7-propyl-1,2-dihydro-3-benzoxepi…

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) 2.72 6.6 -6.68 0 2 0 26 204.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-cyclohexyl-1,2-dihydro-3-benzoxepin-5-one 7-cyclohexyl-1,2-dihydro-3-benzo…

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) 3.77 8.18 -6.33 0 2 0 26 244.334 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dipropoxy-1,2-dihydro-3-benzoxepin-5-one 7,8-dipropoxy-1,2-dihydro-3-benz…

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) 2.82 7.05 -8.81 0 4 0 45 278.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8-diisopropyl-4,5-dihydro-3-benzoxepin-1-one 6,8-diisopropyl-4,5-dihydro-3-be…

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) 3.89 7.86 -6 0 2 0 26 246.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-isobutyl-1,2-dihydro-3-benzoxepin-5-one 7-isobutyl-1,2-dihydro-3-benzoxe…

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) 2.71 7.07 -6.56 0 2 0 26 218.296 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-butyl-1,2-dihydro-3-benzoxepin-5-one 7-butyl-1,2-dihydro-3-benzoxepin…

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) 3.28 7.38 -6.65 0 2 0 26 218.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,9-dimethyl-1,2-dihydro-3-benzoxepin-5-one 7,9-dimethyl-1,2-dihydro-3-benzo…

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) 2.24 5.37 -6.87 0 2 0 26 190.242 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,9-dimethyl-4,5-dihydro-3-benzoxepin-1-one 6,9-dimethyl-4,5-dihydro-3-benzo…

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) 2.24 5.34 -6.48 0 2 0 26 190.242 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-1,2-dihydro-3-benzoxepin-5-one 7-methyl-1,2-dihydro-3-benzoxepi…

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) 1.86 5.06 -6.9 0 2 0 26 176.215 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: bromoBLAHone bromoBLAHone

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) 2.13 5.18 -9.18 0 4 0 45 313.147 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-bromo-6,7-diethoxy-1,2-dihydro-3-benzoxepin-5-one 9-bromo-6,7-diethoxy-1,2-dihydro…

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) 2.75 6.37 -7.03 0 4 0 45 329.19 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-chloro-6,7-dimethoxy-1,2-dihydro-3-benzoxepin-5-one 9-chloro-6,7-dimethoxy-1,2-dihyd…

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) 1.86 4.42 -7.29 0 4 0 45 256.685 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: chloroBLAHone chloroBLAHone

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) 2.00 5.11 -9.26 0 4 0 45 268.696 0 ↓

Parameters Provided:

ring.id = 151502
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 = 151502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=151502&filter.purchasability=annotated

Embed Link to Results