UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36753650
36753650

Draw Identity 99% 90% 80% 70%

Popular Name: 5-azepan-1-ylsulfonyl-2-methyl-benzamide 5-azepan-1-ylsulfonyl-2-methyl-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) 1.86 -5.54 -11.47 2 5 0 80 296.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(chloromethyl)-2-fluoro-phenyl]sulfonylazepane 1-[5-(chloromethyl)-2-fluoro-phe…

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) 3.33 6.6 -9.92 0 3 0 37 305.802 3 ↓

Analogs

35632992
35632992

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-(azepan-1-ylsulfonyl)p…

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 6.78 -48.28 2 4 1 54 311.471 5 ↓

Analogs

35632991
35632991

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-(azepan-1-ylsulfonyl)p…

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 6.78 -46.8 2 4 1 54 311.471 5 ↓

Analogs

35632994
35632994

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-(azepan-1-ylsulfonyl)phenyl]-N-methyl-ethanamine (1S)-1-[3-(azepan-1-ylsulfonyl)p…

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) 2.76 5.94 -49.81 2 4 1 54 297.444 4 ↓
Hi High (pH 8-9.5) 2.76 4.76 -8.11 1 4 0 49 296.436 4 ↓

Analogs

35632993
35632993

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-(azepan-1-ylsulfonyl)phenyl]-N-methyl-ethanamine (1R)-1-[3-(azepan-1-ylsulfonyl)p…

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) 2.76 5.93 -48.14 2 4 1 54 297.444 4 ↓
Hi High (pH 8-9.5) 2.76 4.76 -9.03 1 4 0 49 296.436 4 ↓

Analogs

35632996
35632996

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-ethanamine (1S)-1-[4-(azepan-1-ylsulfonyl)p…

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 6.79 -49.05 2 4 1 54 311.471 5 ↓
Hi High (pH 8-9.5) 3.16 5.7 -8.26 1 4 0 49 310.463 5 ↓

Analogs

35632995
35632995

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-ethanamine (1R)-1-[4-(azepan-1-ylsulfonyl)p…

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 6.79 -47.86 2 4 1 54 311.471 5 ↓
Hi High (pH 8-9.5) 3.16 5.68 -7.73 1 4 0 49 310.463 5 ↓

Analogs

35632998
35632998

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-ethanamine (1S)-1-[4-(azepan-1-ylsulfonyl)p…

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) 2.78 5.95 -50.41 2 4 1 54 297.444 4 ↓
Hi High (pH 8-9.5) 2.78 4.77 -8.11 1 4 0 49 296.436 4 ↓

Analogs

35632997
35632997

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-ethanamine (1R)-1-[4-(azepan-1-ylsulfonyl)p…

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) 2.78 5.95 -49.05 2 4 1 54 297.444 4 ↓
Hi High (pH 8-9.5) 2.78 4.77 -8.83 1 4 0 49 296.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(azepan-1-ylsulfonyl)phenyl]ethanol (1S)-1-[4-(azepan-1-ylsulfonyl)p…

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) 2.23 3.69 -9.74 1 4 0 58 283.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(azepan-1-ylsulfonyl)phenyl]ethanol (1R)-1-[4-(azepan-1-ylsulfonyl)p…

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) 2.23 3.66 -10.17 1 4 0 58 283.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-(azepan-1-ylsulfonyl)phenyl]ethanol (1S)-1-[3-(azepan-1-ylsulfonyl)p…

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) 2.20 3.68 -9.88 1 4 0 58 283.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-(azepan-1-ylsulfonyl)phenyl]ethanol (1R)-1-[3-(azepan-1-ylsulfonyl)p…

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) 2.20 3.65 -10.6 1 4 0 58 283.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[isopropyl(methyl)amino]acetamide N-[3-(azepan-1-ylsulfonyl)-4-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) 3.29 7.46 -43.76 2 6 1 71 382.55 6 ↓
Hi High (pH 8-9.5) 3.11 6.59 -35.44 1 6 0 77 381.542 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(azepan-1-ylsulfonyl)-2-fluoro-aniline 5-(azepan-1-ylsulfonyl)-2-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) 2.24 -4.64 -7.77 2 4 0 63 272.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(azepan-1-ylsulfonyl)-2-fluoro-3-methyl-aniline 5-(azepan-1-ylsulfonyl)-2-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) 2.62 -4.37 -7.87 2 4 0 63 286.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]ethanamine 2-[4-(azepan-1-ylsulfonyl)phenox…

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) 1.53 -6.35 -52.7 3 5 1 74 299.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(azepan-1-ylsulfonyl)-2,4-difluoro-aniline 5-(azepan-1-ylsulfonyl)-2,4-difl…

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 2.97 -9.76 2 4 0 63 290.335 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 2.25 4.11 -11.03 2 6 0 90 312.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 2.82 5.85 -15.09 0 6 0 73 327.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylcarbamoylamino)acetamide N-[3-(azepan-1-ylsulfonyl)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) 1.61 1.06 -18.86 3 9 0 117 412.512 8 ↓

Analogs

36874918
36874918

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide 2-[3-(azepan-1-ylsulfonyl)anilin…

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) 3.45 5.41 -21.57 2 7 0 102 406.552 7 ↓

Analogs

36874917
36874917

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide 2-[3-(azepan-1-ylsulfonyl)anilin…

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) 3.45 5.39 -21.67 2 7 0 102 406.552 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1R)-1-methylbutyl]propanamide 3-[4-(azepan-1-ylsulfonyl)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) 4.24 8.23 -13.48 1 5 0 66 380.554 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1S)-1-methylbutyl]propanamide 3-[4-(azepan-1-ylsulfonyl)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) 4.24 8.55 -14.13 1 5 0 66 380.554 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(azepan-1-ylsulfonyl)-N-prop-2-ynyl-benzamide 3-(azepan-1-ylsulfonyl)-N-prop-2…

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 4.71 -16.22 1 5 0 66 320.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromo-2,6-dichlorobenzenesulfonyl)azepane 1-(4-bromo-2,6-dichlorobenzenesu…

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) 4.68 7.18 -5.98 0 3 0 37 387.126 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-dimethylaminoethyl)benzamide 5-(azepan-1-ylsulfonyl)-2-chloro…

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) 2.49 6.34 -47.47 2 6 1 71 388.941 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-propanamide (2S)-N-[3-(azepan-1-ylsulfonyl)p…

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) 2.17 5.09 -16 1 6 0 76 340.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-propanamide (2R)-N-[3-(azepan-1-ylsulfonyl)p…

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) 2.17 5.11 -15.85 1 6 0 76 340.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[(4R)-4-propylazepan-1-yl]sulfonylphenyl]ethyl]acetamide N-[2-[4-[(4R)-4-propylazepan-1-y…

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) 3.24 7.14 -15.62 1 5 0 66 366.527 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[(4S)-4-propylazepan-1-yl]sulfonylphenyl]ethyl]acetamide N-[2-[4-[(4S)-4-propylazepan-1-y…

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) 3.24 6.85 -14.75 1 5 0 66 366.527 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[(4R)-4-propylazepan-1-yl]sulfonyl-benzamide N,N-dimethyl-3-[(4R)-4-propylaze…

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 -11.44 0 5 0 58 352.5 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[(4S)-4-propylazepan-1-yl]sulfonyl-benzamide N,N-dimethyl-3-[(4S)-4-propylaze…

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 6.92 -11.02 0 5 0 58 352.5 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(2-methyl-5-methylsulfonyl-phenyl)sulfonyl-4-propyl-azepane (4R)-1-(2-methyl-5-methylsulfony…

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 5.31 -16.9 0 5 0 72 373.54 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(2-methyl-5-methylsulfonyl-phenyl)sulfonyl-4-propyl-azepane (4S)-1-(2-methyl-5-methylsulfony…

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 4.97 -17.7 0 5 0 72 373.54 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-methoxy-3-[(4R)-4-propylazepan-1-yl]sulfonyl-phenyl]methyl]acetamide N-[[4-methoxy-3-[(4R)-4-propylaz…

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 6.13 -15.6 1 6 0 76 382.526 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-methoxy-3-[(4S)-4-propylazepan-1-yl]sulfonyl-phenyl]methyl]acetamide N-[[4-methoxy-3-[(4S)-4-propylaz…

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 5.84 -15.82 1 6 0 76 382.526 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(4-fluoro-3-methylsulfonyl-phenyl)sulfonyl-4-propyl-azepane (4R)-1-(4-fluoro-3-methylsulfony…

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 4.93 -14.72 0 5 0 72 377.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(4-fluoro-3-methylsulfonyl-phenyl)sulfonyl-4-propyl-azepane (4S)-1-(4-fluoro-3-methylsulfony…

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 4.64 -14.11 0 5 0 72 377.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(4R)-4-propylazepan-1-yl]sulfonyl-benzenesulfonamide 3-fluoro-4-[(4R)-4-propylazepan-…

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 2.24 -14.11 2 6 0 98 378.491 5 ↓
Hi High (pH 8-9.5) 2.70 2.73 -39.83 1 6 -1 95 377.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(4S)-4-propylazepan-1-yl]sulfonyl-benzenesulfonamide 3-fluoro-4-[(4S)-4-propylazepan-…

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 1.96 -14.26 2 6 0 98 378.491 5 ↓
Hi High (pH 8-9.5) 2.70 2.45 -39.8 1 6 -1 95 377.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(4-methylsulfonylphenyl)sulfonyl-4-propyl-azepane (4R)-1-(4-methylsulfonylphenyl)s…

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) 2.78 4.9 -17.1 0 5 0 72 359.513 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(4-methylsulfonylphenyl)sulfonyl-4-propyl-azepane (4S)-1-(4-methylsulfonylphenyl)s…

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) 2.78 4.61 -15.94 0 5 0 72 359.513 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(2-methylsulfonylphenyl)sulfonyl-4-propyl-azepane (4R)-1-(2-methylsulfonylphenyl)s…

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 6.51 -16.99 0 5 0 72 359.513 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(2-methylsulfonylphenyl)sulfonyl-4-propyl-azepane (4S)-1-(2-methylsulfonylphenyl)s…

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 5.4 -14.35 0 5 0 72 359.513 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(3-methylsulfonylphenyl)sulfonyl-4-propyl-azepane (4R)-1-(3-methylsulfonylphenyl)s…

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) 2.76 4.9 -18.41 0 5 0 72 359.513 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(3-methylsulfonylphenyl)sulfonyl-4-propyl-azepane (4S)-1-(3-methylsulfonylphenyl)s…

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) 2.76 4.61 -17.01 0 5 0 72 359.513 5 ↓

Analogs

4298808
4298808

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-propylazepan-1-yl]sulfonylbenzenesulfonamide 4-[(4R)-4-propylazepan-1-yl]sulf…

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) 2.61 2.32 -15.59 2 6 0 98 360.501 5 ↓

Parameters Provided:

ring.id = 4052
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 = 4052 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4052&filter.purchasability=annotated

Embed Link to Results