Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_h20j19ht2rnhan0bch8ihaj804, 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: 6-[(S)-amino-(2-chloro-6-fluoro-phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-amino-(2-chloro-6-fluoro-…

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) 3.31 5.75 -46.88 4 3 1 57 305.76 2 ↓
Mid Mid (pH 6-8) 3.31 5.5 -8.35 3 3 0 55 304.752 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(2-chloro-6-fluoro-phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-amino-(2-chloro-6-fluoro-…

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) 3.31 5.75 -46.65 4 3 1 57 305.76 2 ↓
Mid Mid (pH 6-8) 3.31 5.42 -8.39 3 3 0 55 304.752 2 ↓

Analogs

21788264
21788264
21802566
21802566
21802568
21802568
21819647
21819647
37114433
37114433

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(2,6-dichlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-amino-(2,6-dichlorophenyl…

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) 3.83 6.19 -44.02 4 3 1 57 322.215 2 ↓
Mid Mid (pH 6-8) 3.83 6.05 -7.76 3 3 0 55 321.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(2,6-dichlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-amino-(2,6-dichlorophenyl…

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) 3.83 6.19 -44.11 4 3 1 57 322.215 2 ↓
Mid Mid (pH 6-8) 3.83 5.86 -8.34 3 3 0 55 321.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(5-fluoro-2-methyl-phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-amino-(5-fluoro-2-methyl-…

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) 3.10 5.89 -57.93 4 3 1 57 285.342 2 ↓
Mid Mid (pH 6-8) 3.10 5.55 -9.45 3 3 0 55 284.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(5-fluoro-2-methyl-phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-amino-(5-fluoro-2-methyl-…

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) 3.10 5.92 -58.98 4 3 1 57 285.342 2 ↓
Mid Mid (pH 6-8) 3.10 5.59 -9.74 3 3 0 55 284.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(5-fluoro-2-methyl-phenyl)-hydroxy-methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-(5-fluoro-2-methyl-phenyl…

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) 3.06 5.54 -10.57 2 3 0 49 285.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(5-fluoro-2-methyl-phenyl)-hydroxy-methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-(5-fluoro-2-methyl-phenyl…

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) 3.06 5.63 -10.6 2 3 0 49 285.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-(5-fluoro-2-methyl-phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-chloro-(5-fluoro-2-methyl…

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) 4.30 8.89 -10.35 1 2 0 29 303.764 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-(5-fluoro-2-methyl-phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-chloro-(5-fluoro-2-methyl…

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) 4.30 9.05 -10.26 1 2 0 29 303.764 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-bromo-(5-fluoro-2-methyl-phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(R)-bromo-(5-fluoro-2-methyl-…

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) 4.43 8.97 -10.13 1 2 0 29 348.215 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-bromo-(5-fluoro-2-methyl-phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one 6-[(S)-bromo-(5-fluoro-2-methyl-…

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) 4.43 9.14 -10.03 1 2 0 29 348.215 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(2-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(2-iodophenyl)methy…

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 7.89 -55.46 3 3 1 48 393.248 2 ↓
Mid Mid (pH 6-8) 3.17 7.57 -8.15 2 3 0 46 392.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(2-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(2-iodophenyl)methy…

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 7.94 -54.78 3 3 1 48 393.248 2 ↓
Mid Mid (pH 6-8) 3.17 7.61 -7.92 2 3 0 46 392.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(2-bromophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(2-bromophenyl)meth…

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) 2.90 7.53 -56.02 3 3 1 48 346.248 2 ↓
Mid Mid (pH 6-8) 2.90 7.21 -8.34 2 3 0 46 345.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(2-bromophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(2-bromophenyl)meth…

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) 2.90 7.57 -55.28 3 3 1 48 346.248 2 ↓
Mid Mid (pH 6-8) 2.90 7.24 -8.12 2 3 0 46 345.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(2-chlorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(2-chlorophenyl)met…

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) 2.77 7.48 -56.26 3 3 1 48 301.797 2 ↓
Mid Mid (pH 6-8) 2.77 7.16 -8.29 2 3 0 46 300.789 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(2-chlorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(2-chlorophenyl)met…

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) 2.77 7.53 -55.56 3 3 1 48 301.797 2 ↓
Mid Mid (pH 6-8) 2.77 7.2 -8.14 2 3 0 46 300.789 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(3-bromophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(3-bromophenyl)meth…

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 7.79 -60.96 3 3 1 48 346.248 2 ↓
Mid Mid (pH 6-8) 2.92 7.46 -8.79 2 3 0 46 345.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(3-bromophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(3-bromophenyl)meth…

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 7.78 -60.65 3 3 1 48 346.248 2 ↓
Mid Mid (pH 6-8) 2.92 7.45 -8.71 2 3 0 46 345.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(3-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(3-iodophenyl)methy…

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) 3.20 8.27 -60.81 3 3 1 48 393.248 2 ↓
Mid Mid (pH 6-8) 3.20 7.93 -8.54 2 3 0 46 392.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(3-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(3-iodophenyl)methy…

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) 3.20 8.26 -60.51 3 3 1 48 393.248 2 ↓
Mid Mid (pH 6-8) 3.20 7.93 -8.47 2 3 0 46 392.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(4-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(4-iodophenyl)methy…

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) 3.22 8.28 -62.04 3 3 1 48 393.248 2 ↓
Hi High (pH 8-9.5) 3.22 7.94 -8.78 2 3 0 46 392.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(4-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(4-iodophenyl)methy…

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) 3.22 8.27 -61.82 3 3 1 48 393.248 2 ↓
Hi High (pH 8-9.5) 3.22 7.94 -8.78 2 3 0 46 392.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(4-chlorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(4-chlorophenyl)met…

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 7.69 -61.93 3 3 1 48 301.797 2 ↓
Hi High (pH 8-9.5) 2.82 7.36 -9.06 2 3 0 46 300.789 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(4-chlorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(4-chlorophenyl)met…

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 7.69 -61.69 3 3 1 48 301.797 2 ↓
Hi High (pH 8-9.5) 2.82 7.36 -9.07 2 3 0 46 300.789 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(4-bromophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(4-bromophenyl)meth…

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) 2.95 7.8 -62.11 3 3 1 48 346.248 2 ↓
Hi High (pH 8-9.5) 2.95 7.47 -9.07 2 3 0 46 345.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(4-bromophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(4-bromophenyl)meth…

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) 2.95 7.79 -61.88 3 3 1 48 346.248 2 ↓
Hi High (pH 8-9.5) 2.95 7.46 -9.01 2 3 0 46 345.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(4-fluorophenyl)met…

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) 2.30 7.24 -63.11 3 3 1 48 285.342 2 ↓
Hi High (pH 8-9.5) 2.30 6.91 -9.89 2 3 0 46 284.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(4-fluorophenyl)met…

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) 2.30 7.24 -62.88 3 3 1 48 285.342 2 ↓
Hi High (pH 8-9.5) 2.30 6.91 -9.84 2 3 0 46 284.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(3-chlorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(3-chlorophenyl)met…

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) 2.79 7.68 -60.82 3 3 1 48 301.797 2 ↓
Mid Mid (pH 6-8) 2.79 7.35 -8.8 2 3 0 46 300.789 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(3-chlorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(3-chlorophenyl)met…

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) 2.79 7.68 -60.52 3 3 1 48 301.797 2 ↓
Mid Mid (pH 6-8) 2.79 7.35 -8.77 2 3 0 46 300.789 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(3-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(3-fluorophenyl)met…

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) 2.28 7.24 -61.9 3 3 1 48 285.342 2 ↓
Mid Mid (pH 6-8) 2.28 6.91 -9.59 2 3 0 46 284.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(3-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(3-fluorophenyl)met…

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) 2.28 7.24 -61.61 3 3 1 48 285.342 2 ↓
Mid Mid (pH 6-8) 2.28 6.91 -9.48 2 3 0 46 284.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(2-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(2-fluorophenyl)met…

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) 2.26 7.28 -57.6 3 3 1 48 285.342 2 ↓
Mid Mid (pH 6-8) 2.26 6.97 -8.69 2 3 0 46 284.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(2-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(2-fluorophenyl)met…

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) 2.26 7.31 -56.9 3 3 1 48 285.342 2 ↓
Mid Mid (pH 6-8) 2.26 6.98 -8.85 2 3 0 46 284.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-hydroxy-(2-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy-(2-iodophenyl)met…

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) 3.13 7.59 -9.42 1 3 0 41 393.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-hydroxy-(2-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy-(2-iodophenyl)met…

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) 3.13 7.59 -9.33 1 3 0 41 393.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2-bromophenyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-(2-bromophenyl)-hydroxy-m…

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) 2.86 7.22 -9.52 1 3 0 41 346.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(2-bromophenyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-(2-bromophenyl)-hydroxy-m…

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) 2.86 7.21 -9.47 1 3 0 41 346.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3-bromophenyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-(3-bromophenyl)-hydroxy-m…

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) 2.88 7.5 -10.12 1 3 0 41 346.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3-bromophenyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-(3-bromophenyl)-hydroxy-m…

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) 2.88 7.49 -10.01 1 3 0 41 346.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-hydroxy-(3-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy-(3-iodophenyl)met…

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) 3.16 7.97 -9.85 1 3 0 41 393.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-hydroxy-(3-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy-(3-iodophenyl)met…

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) 3.16 7.97 -9.76 1 3 0 41 393.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-hydroxy-(4-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy-(4-iodophenyl)met…

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) 3.18 7.98 -10.03 1 3 0 41 393.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-hydroxy-(4-iodophenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy-(4-iodophenyl)met…

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) 3.18 7.98 -9.99 1 3 0 41 393.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(4-bromophenyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-(4-bromophenyl)-hydroxy-m…

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) 2.91 7.51 -10.29 1 3 0 41 346.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(4-bromophenyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-(4-bromophenyl)-hydroxy-m…

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) 2.91 7.5 -10.28 1 3 0 41 346.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3-fluorophenyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-(3-fluorophenyl)-hydroxy-…

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 6.95 -10.84 1 3 0 41 285.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3-fluorophenyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-(3-fluorophenyl)-hydroxy-…

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 6.95 -10.73 1 3 0 41 285.318 2 ↓

Parameters Provided:

ring.id = 55920
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 = 55920 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=55920&filter.purchasability=annotated

Embed Link to Results