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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-[[(2S)-tetrahydrofuran-2-yl]methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6R)-6-[[(2S)-tetrahydrofuran-2-…

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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) 3.26 9.89 -7.41 0 2 0 26 244.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-[[(2S)-tetrahydrofuran-2-yl]methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6S)-6-[[(2S)-tetrahydrofuran-2-…

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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) 3.26 8.31 -6.52 0 2 0 26 244.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-[[(2R)-tetrahydrofuran-2-yl]methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6R)-6-[[(2R)-tetrahydrofuran-2-…

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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) 3.26 8.29 -6.37 0 2 0 26 244.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-[[(2R)-tetrahydrofuran-2-yl]methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6S)-6-[[(2R)-tetrahydrofuran-2-…

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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) 3.26 9.86 -7.86 0 2 0 26 244.334 2 ↓

Analogs

19726985
19726985
19726987
19726987
5699705
5699705

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one 2-methyl-5,6,7,8-tetrahydrobenzo…

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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) 3.17 7.34 -5.95 0 1 0 17 174.243 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one 3-Chloro-6,7,8,9-tetrahydro-5H-b…

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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 7.2 -5.88 0 1 0 17 194.661 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one 3-Bromo-6,7,8,9-tetrahydro-5H-be…

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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 7.31 -5.81 0 1 0 17 239.112 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one 3-Methoxy-6,7,8,9-tetrahydro-5H-…

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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) 2.78 5.99 -7.64 0 2 0 26 190.242 1 ↓

Analogs

19726987
19726987
19726981
19726981
5699705
5699705

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one 2,4-dimethyl-5,6,7,8-tetrahydrob…

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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 7.76 -7.05 0 1 0 17 188.27 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one 1,3-dimethoxy-6,7,8,9-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) 2.76 5.42 -7.81 0 3 0 36 220.268 2 ↓

Analogs

19726981
19726981
19726985
19726985
5699705
5699705

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one 1,4-dimethyl-6,7,8,9-tetrahydrob…

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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 7.77 -6.47 0 1 0 17 188.27 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one 1,4-dimethoxy-6,7,8,9-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) 2.76 5.44 -9.15 0 3 0 36 220.268 2 ↓

Analogs

5086722
5086722

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dimethoxy-5,6,7,8-tetrahydrobenzo[7]annulen-9-one 2,3-dimethoxy-5,6,7,8-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) 2.37 5.94 -8.93 0 3 0 36 220.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one 2-ethyl-5,6,7,8-tetrahydrobenzo[…

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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) 3.64 8.11 -5.69 0 1 0 17 188.27 1 ↓

Analogs

19726993
19726993

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one 2-isopropyl-5,6,7,8-tetrahydrobe…

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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) 4.24 8.61 -5.69 0 1 0 17 202.297 1 ↓

Analogs

19726992
19726992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one 2-tert-butyl-5,6,7,8-tetrahydrob…

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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) 4.43 9.01 -5.61 0 1 0 17 216.324 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-1-methyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one 4-methoxy-1-methyl-5,6,7,8-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) 3.16 6.72 -6.58 0 2 0 26 204.269 1 ↓

Analogs

19727180
19727180
19727187
19727187
19727188
19727188
19727191
19727191
19727192
19727192

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-bromo-2-methyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8R)-8-bromo-2-methyl-5,6,7,8-te…

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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) 3.39 7.95 -6.13 0 1 0 17 253.139 0 ↓

Analogs

19727187
19727187
19727188
19727188
19727191
19727191
19727192
19727192
19727179
19727179

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-bromo-2-methyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8S)-8-bromo-2-methyl-5,6,7,8-te…

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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) 3.39 7.94 -6.13 0 1 0 17 253.139 0 ↓

Analogs

19727182
19727182

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-bromo-2-fluoro-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8R)-8-bromo-2-fluoro-5,6,7,8-te…

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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) 3.11 7.34 -7.08 0 1 0 17 257.102 0 ↓

Analogs

19727181
19727181

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-bromo-2-fluoro-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8S)-8-bromo-2-fluoro-5,6,7,8-te…

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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) 3.11 7.34 -7.1 0 1 0 17 257.102 0 ↓

Analogs

19727184
19727184

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-bromo-2-chloro-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8R)-8-bromo-2-chloro-5,6,7,8-te…

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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) 3.62 7.81 -6.46 0 1 0 17 273.557 0 ↓

Analogs

19727183
19727183

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-bromo-2-chloro-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8S)-8-bromo-2-chloro-5,6,7,8-te…

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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) 3.62 7.8 -6.44 0 1 0 17 273.557 0 ↓

Analogs

19727186
19727186

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-bromo-2-methoxy-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8R)-8-bromo-2-methoxy-5,6,7,8-t…

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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) 3.00 6.6 -8.01 0 2 0 26 269.138 1 ↓

Analogs

19727185
19727185

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-bromo-2-methoxy-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8S)-8-bromo-2-methoxy-5,6,7,8-t…

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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) 3.00 6.6 -8 0 2 0 26 269.138 1 ↓

Analogs

19727188
19727188
19727191
19727191
19727192
19727192
19727179
19727179
19727180
19727180

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-bromo-2,4-dimethyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8R)-8-bromo-2,4-dimethyl-5,6,7,…

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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) 3.77 8.35 -7.21 0 1 0 17 267.166 0 ↓

Analogs

19727191
19727191
19727192
19727192
19727179
19727179
19727180
19727180
19727187
19727187

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-bromo-2,4-dimethyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8S)-8-bromo-2,4-dimethyl-5,6,7,…

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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) 3.77 8.34 -7.19 0 1 0 17 267.166 0 ↓

Analogs

19727190
19727190

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-bromo-1,3-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6R)-6-bromo-1,3-dimethoxy-6,7,8…

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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) 2.98 6.02 -7.59 0 3 0 36 299.164 2 ↓

Analogs

19727189
19727189

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-bromo-1,3-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6S)-6-bromo-1,3-dimethoxy-6,7,8…

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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) 2.98 6.01 -7.68 0 3 0 36 299.164 2 ↓

Analogs

19727192
19727192
19727179
19727179
19727180
19727180
19727187
19727187
19727188
19727188

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-bromo-1,4-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6S)-6-bromo-1,4-dimethyl-6,7,8,…

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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) 3.77 8.38 -6.62 0 1 0 17 267.166 0 ↓

Analogs

19727179
19727179
19727180
19727180
19727187
19727187
19727188
19727188
19727191
19727191

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-bromo-1,4-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6R)-6-bromo-1,4-dimethyl-6,7,8,…

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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) 3.77 8.38 -6.61 0 1 0 17 267.166 0 ↓

Analogs

19727194
19727194

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-bromo-1,4-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6S)-6-bromo-1,4-dimethoxy-6,7,8…

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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) 2.98 6.07 -9.05 0 3 0 36 299.164 2 ↓

Analogs

19727193
19727193

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-bromo-1,4-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (6R)-6-bromo-1,4-dimethoxy-6,7,8…

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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) 2.98 6.06 -9.05 0 3 0 36 299.164 2 ↓

Analogs

19727198
19727198

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-bromo-2-ethyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8R)-8-bromo-2-ethyl-5,6,7,8-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) 3.86 8.71 -5.94 0 1 0 17 267.166 1 ↓

Analogs

19727197
19727197

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-bromo-2-ethyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8S)-8-bromo-2-ethyl-5,6,7,8-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) 3.86 8.69 -5.96 0 1 0 17 267.166 1 ↓

Analogs

19727200
19727200
19727201
19727201
19727202
19727202

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-bromo-2-isopropyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8R)-8-bromo-2-isopropyl-5,6,7,8…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 9.21 -5.94 0 1 0 17 281.193 1 ↓

Analogs

19727201
19727201
19727202
19727202
19727199
19727199

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-bromo-2-isopropyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8S)-8-bromo-2-isopropyl-5,6,7,8…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 9.2 -5.89 0 1 0 17 281.193 1 ↓

Analogs

19727202
19727202
19727199
19727199
19727200
19727200

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Popular Name: (8R)-8-bromo-2-tert-butyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8R)-8-bromo-2-tert-butyl-5,6,7,…

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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) 4.65 9.62 -5.86 0 1 0 17 295.22 1 ↓

Analogs

19727199
19727199
19727200
19727200
19727201
19727201

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Popular Name: (8S)-8-bromo-2-tert-butyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8S)-8-bromo-2-tert-butyl-5,6,7,…

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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) 4.65 9.62 -5.84 0 1 0 17 295.22 1 ↓

Analogs

19727204
19727204

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Popular Name: (8S)-8-bromo-4-methoxy-1-methyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8S)-8-bromo-4-methoxy-1-methyl-…

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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) 3.37 7.34 -6.23 0 2 0 26 283.165 1 ↓

Analogs

19727203
19727203

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-bromo-4-methoxy-1-methyl-5,6,7,8-tetrahydrobenzo[7]annulen-9-one (8R)-8-bromo-4-methoxy-1-methyl-…

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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) 3.37 7.34 -6.21 0 2 0 26 283.165 1 ↓

Analogs

19865223
19865223

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Popular Name: (9R)-N-benzyl-2-methoxy-9-methyl-5-oxo-7,8-dihydro-6H-benzo[7]annulene-9-carboxamide (9R)-N-benzyl-2-methoxy-9-methyl…

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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 7.9 -9.93 1 4 0 55 337.419 4 ↓

Analogs

19865218
19865218

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-benzyl-2-methoxy-9-methyl-5-oxo-7,8-dihydro-6H-benzo[7]annulene-9-carboxamide (9S)-N-benzyl-2-methoxy-9-methyl…

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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 8.64 -12.25 1 4 0 55 337.419 4 ↓

Analogs

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Popular Name: 4-bromo-1-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one 4-bromo-1-methoxy-6,7,8,9-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) 3.52 6.62 -6.56 0 2 0 26 269.138 1 ↓

Analogs

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Popular Name: 4-bromo-1-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one 4-bromo-1-ethoxy-6,7,8,9-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) 3.89 7.55 -6.21 0 2 0 26 283.165 2 ↓

Analogs

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Popular Name: 1-ethoxy-4-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one 1-ethoxy-4-methyl-6,7,8,9-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) 3.53 7.57 -6.22 0 2 0 26 218.296 2 ↓

Analogs

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Popular Name: 2-ethoxy-5,6,7,8-tetrahydrobenzo[7]annulen-9-one 2-ethoxy-5,6,7,8-tetrahydrobenzo…

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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) 3.15 6.88 -7.53 0 2 0 26 204.269 2 ↓

Analogs

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Popular Name: 2-isopropoxy-5,6,7,8-tetrahydrobenzo[7]annulen-9-one 2-isopropoxy-5,6,7,8-tetrahydrob…

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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 7.5 -7.47 0 2 0 26 218.296 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-bromo-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one 1-bromo-3-methoxy-6,7,8,9-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) 3.52 6.4 -6.32 0 2 0 26 269.138 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-chloro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one 1-chloro-3-methoxy-6,7,8,9-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) 3.38 6.31 -6.34 0 2 0 26 224.687 1 ↓

Parameters Provided:

ring.id = 45062
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 = 45062 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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