Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_u6svma8naetbbge3le36f7up27, 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

21800784
21800784
21809096
21809096
37039107
37039107

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium 1-(4-methoxyphenyl)sulfonyl-4-me…

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 4.31 -44.82 1 5 1 51 285.389 3 ↓
Mid Mid (pH 6-8) 1.47 2.18 -8.37 0 5 0 50 284.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-aminophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide 2-[4-(3-aminophenyl)sulfonyl-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) -0.80 -0.3 -47.56 5 7 1 111 313.403 4 ↓
Hi High (pH 8-9.5) -0.80 -2.24 -15.37 4 7 0 110 312.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-aminophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide 2-[4-(4-aminophenyl)sulfonyl-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) -0.78 -0.09 -46.84 5 7 1 111 313.403 4 ↓
Hi High (pH 8-9.5) -0.78 -1.84 -14.41 4 7 0 110 312.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-aminophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide 2-[4-(2-aminophenyl)sulfonyl-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) -0.42 0.51 -43.85 5 7 1 111 313.403 4 ↓
Hi High (pH 8-9.5) -0.42 -1.24 -13.68 4 7 0 110 312.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(2-methoxyethyl)-1,4-diazepan-1-yl]sulfonyl]aniline 3-[[4-(2-methoxyethyl)-1,4-diaze…

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) 0.45 2.73 -42.14 3 6 1 77 314.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(2-methoxyethyl)-1,4-diazepan-1-yl]sulfonyl]aniline 4-[[4-(2-methoxyethyl)-1,4-diaze…

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) 0.47 3.15 -38.51 3 6 1 77 314.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-methoxyethyl)-1,4-diazepan-1-yl]sulfonyl]aniline 2-[[4-(2-methoxyethyl)-1,4-diaze…

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) 0.83 3.51 -39.24 3 6 1 77 314.431 5 ↓

Analogs

35633541
35633541

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]ethanamine (1S)-N-methyl-1-[3-[(4-methyl-1,…

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) 1.51 5.49 -95.58 3 5 2 58 313.467 4 ↓
Hi High (pH 8-9.5) 1.51 3.39 -49.66 2 5 1 57 312.459 4 ↓

Analogs

35633540
35633540

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]ethanamine (1R)-N-methyl-1-[3-[(4-methyl-1,…

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) 1.51 5.5 -92.32 3 5 2 58 313.467 4 ↓
Hi High (pH 8-9.5) 1.51 3.39 -48.21 2 5 1 57 312.459 4 ↓

Analogs

35633543
35633543

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]ethanamine (1S)-N-methyl-1-[4-[(4-methyl-1,…

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 5.5 -93.45 3 5 2 58 313.467 4 ↓
Hi High (pH 8-9.5) 1.53 3.4 -49.74 2 5 1 57 312.459 4 ↓
Hi High (pH 8-9.5) 1.53 2.23 -7.84 1 5 0 53 311.451 4 ↓

Analogs

35633542
35633542

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]ethanamine (1R)-N-methyl-1-[4-[(4-methyl-1,…

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 5.5 -90.83 3 5 2 58 313.467 4 ↓
Hi High (pH 8-9.5) 1.53 3.4 -48.56 2 5 1 57 312.459 4 ↓
Hi High (pH 8-9.5) 1.53 2.23 -8.62 1 5 0 53 311.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]ethanol (1S)-1-[4-[(4-methyl-1,4-diazepa…

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) 0.98 3.15 -43.96 2 5 1 62 299.416 3 ↓
Hi High (pH 8-9.5) 0.98 1.05 -9.97 1 5 0 61 298.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]ethanol (1R)-1-[4-[(4-methyl-1,4-diazepa…

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) 0.98 3.1 -44.62 2 5 1 62 299.416 3 ↓
Hi High (pH 8-9.5) 0.98 1.01 -10.25 1 5 0 61 298.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]ethanol (1S)-1-[3-[(4-methyl-1,4-diazepa…

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) 0.95 3.12 -43.94 2 5 1 62 299.416 3 ↓
Hi High (pH 8-9.5) 0.95 1.04 -9.32 1 5 0 61 298.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]ethanol (1R)-1-[3-[(4-methyl-1,4-diazepa…

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) 0.95 3.08 -44.9 2 5 1 62 299.416 3 ↓
Hi High (pH 8-9.5) 0.95 1 -9.78 1 5 0 61 298.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-1,4-diazepane 1-(4-chloro-3-nitro-phenyl)sulfo…

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) 1.38 3.82 -55.75 2 7 1 100 320.778 3 ↓
Hi High (pH 8-9.5) 1.38 2.6 -11.06 1 7 0 95 319.77 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-1,4-diazepane 1-(2-chloro-5-nitro-phenyl)sulfo…

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) 1.38 4.1 -52.23 2 7 1 100 320.778 3 ↓
Hi High (pH 8-9.5) 1.38 2.72 -11.73 1 7 0 95 319.77 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chloro-2-nitro-phenyl)sulfonyl-1,4-diazepane 1-(4-chloro-2-nitro-phenyl)sulfo…

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) 1.38 5.09 -56.28 2 7 1 100 320.778 3 ↓
Hi High (pH 8-9.5) 1.38 3.89 -21.12 1 7 0 95 319.77 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane 1-(3-chloro-4-methyl-5-nitro-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) 1.76 4.95 -51.49 2 7 1 100 334.805 3 ↓
Hi High (pH 8-9.5) 1.76 3.57 -9.6 1 7 0 95 333.797 3 ↓

Analogs

25066001
25066001

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)sulfonyl-N-isopentyl-1,4-diazepane-1-carboxamide 4-(4-fluorophenyl)sulfonyl-N-iso…

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) 3.43 5.94 -15.24 1 6 0 70 371.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)sulfonyl-1,4-diazepane 1-(3-chlorophenyl)sulfonyl-1,4-d…

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 3.29 -50.57 2 4 1 54 275.781 2 ↓
Hi High (pH 8-9.5) 1.47 2.06 -8.95 1 4 0 49 274.773 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)sulfonyl-1,4-diazepane 1-(2-chlorophenyl)sulfonyl-1,4-d…

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) 1.45 3.05 -48.17 2 4 1 54 275.781 2 ↓
Hi High (pH 8-9.5) 1.45 1.82 -9.19 1 4 0 49 274.773 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butanenitrile (3S)-3-[4-(4-fluorophenyl)sulfon…

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) 1.36 4.81 -13.41 0 5 0 64 325.409 4 ↓
Mid Mid (pH 6-8) 1.36 6.49 -51.86 1 5 1 66 326.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butanenitrile (3R)-3-[4-(4-fluorophenyl)sulfon…

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) 1.36 4.77 -13.88 0 5 0 64 325.409 4 ↓
Mid Mid (pH 6-8) 1.36 6.5 -52.05 1 5 1 66 326.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-(4-nitrophenyl…

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 6.18 -50.72 2 9 1 117 399.493 6 ↓
Hi High (pH 8-9.5) 2.17 3.83 -13 1 9 0 116 398.485 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[4-(2,4-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-(2,4-difluorop…

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) 2.46 5.74 -40.94 2 6 1 71 390.476 5 ↓
Hi High (pH 8-9.5) 2.46 3.4 -11.69 1 6 0 70 389.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-(2,4,6-trimeth…

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) 3.41 7.58 -47.69 2 6 1 71 396.577 5 ↓
Hi High (pH 8-9.5) 3.41 5.67 -13.68 1 6 0 70 395.569 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-bromo-4-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-tert-butyl-acetamide 2-[4-(3-bromo-4-methoxy-phenyl)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) 3.00 5.5 -48.14 2 7 1 80 463.418 6 ↓
Hi High (pH 8-9.5) 3.00 3.15 -13.67 1 7 0 79 462.41 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethyl dimethyl

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) 2.48 6.79 -48.14 2 10 1 124 470.568 9 ↓
Hi High (pH 8-9.5) 2.48 4.44 -15.59 1 10 0 122 469.56 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-tert-butyl-acetamide 2-[4-(3-bromophenyl)sulfonyl-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) 2.99 6.13 -43.94 2 6 1 71 433.392 5 ↓
Hi High (pH 8-9.5) 2.99 3.78 -11.73 1 6 0 70 432.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-[4-(trifluorom…

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 5.3 -46.35 2 7 1 80 438.492 7 ↓
Hi High (pH 8-9.5) 3.18 2.95 -11.43 1 7 0 79 437.484 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[4-(4-methyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-(4-methyl-3-ni…

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) 2.54 6.71 -53.48 2 9 1 117 413.52 6 ↓
Hi High (pH 8-9.5) 2.54 4.37 -16.37 1 9 0 116 412.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(5-bromo-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-tert-butyl-acetamide 2-[4-(5-bromo-2-methoxy-phenyl)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) 3.00 6.13 -42.19 2 7 1 80 463.418 6 ↓
Hi High (pH 8-9.5) 3.00 3.79 -14.13 1 7 0 79 462.41 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[4-(2,5-dichloro-3,6-dimethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-(2,5-dichloro-…

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 7.6 -42.89 2 6 1 71 451.44 5 ↓
Hi High (pH 8-9.5) 4.24 5.27 -10.48 1 6 0 70 450.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]sulfonyl]-N-methyl-benzamide 4-[[4-[2-(tert-butylamino)-2-oxo…

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) 1.40 3.76 -51.63 3 8 1 100 411.548 6 ↓
Hi High (pH 8-9.5) 1.40 1.4 -18.24 2 8 0 99 410.54 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane 1-(2,3,5,6-tetramethylphenyl)sul…

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) 2.40 5.13 -47.56 2 4 1 54 297.444 2 ↓
Hi High (pH 8-9.5) 2.40 3.97 -8.02 1 4 0 49 296.436 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chloro-2-fluoro-phenyl)sulfonyl-1,4-diazepane 1-(4-chloro-2-fluoro-phenyl)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) 1.59 3.16 -46.13 2 4 1 54 293.771 2 ↓
Hi High (pH 8-9.5) 1.59 1.98 -7.24 1 4 0 49 292.763 2 ↓

Analogs

25758676
25758676
25758680
25758680

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-4-chloro-benzoic 3-[(4-acetyl-1,4-diazepan-1-yl)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) 1.29 4.19 -60.66 0 7 -1 98 359.811 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-chloro-benzoic 5-[(4-acetyl-1,4-diazepan-1-yl)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) 0.95 4.15 -53.13 0 7 -1 98 359.811 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2,4-dichloro-benzoic 5-[(4-acetyl-1,4-diazepan-1-yl)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) 1.56 4.64 -56 0 7 -1 98 394.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzoic 3-[(4-acetyl-1,4-diazepan-1-yl)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) 0.66 3.75 -72.18 0 7 -1 98 325.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-4,5-dimethoxy-phenyl]prop-2-enoic (E)-3-[3-[(4-acetyl-1,4-diazepan…

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) 0.52 4.95 -62.85 0 9 -1 116 411.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-4-methoxy-benzoic 3-[(4-acetyl-1,4-diazepan-1-yl)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) 0.67 3.9 -63.83 0 8 -1 107 355.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-bromo-benzoic 5-[(4-acetyl-1,4-diazepan-1-yl)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) 1.08 4.25 -52.44 0 7 -1 98 404.262 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-methyl-benzoic 5-[(4-acetyl-1,4-diazepan-1-yl)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) 0.72 4.33 -54.59 0 7 -1 98 339.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-fluoro-benzoic 5-[(4-acetyl-1,4-diazepan-1-yl)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) 0.44 3.79 -55.82 0 7 -1 98 343.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzoic 4-[(4-acetyl-1,4-diazepan-1-yl)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) 0.69 3.77 -57.58 0 7 -1 98 325.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]prop-2-enoic (E)-3-[4-[(4-acetyl-1,4-diazepan…

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) 0.75 4.99 -57.19 0 7 -1 98 351.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]propanoic 3-[4-[(4-acetyl-1,4-diazepan-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) 0.72 5.28 -60.37 0 7 -1 98 353.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-hydroxy-benzoic 5-[(4-acetyl-1,4-diazepan-1-yl)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) 0.68 1.89 -56.37 1 8 -1 118 341.365 3 ↓

Parameters Provided:

ring.id = 17006
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 = 17006 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=17006&filter.purchasability=annotated

Embed Link to Results