Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_n4p9q0pcjv8stgdagus8408jk3, 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: 4-ethylamino-N,N-dimethyl-3-styrylsulfonylamino-benzenesulfonamide 4-ethylamino-N,N-dimethyl-3-styr…

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) 2.65 -8.07 -16.67 2 7 0 95 409.533 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-chlorophenyl)vinylsulfonylamino]-4-ethylamino-N,N-dimethyl-benzenesulfonamide 3-[2-(4-chlorophenyl)vinylsulfon…

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 -8.22 -16.23 2 7 0 95 443.978 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-propylamino-3-styrylsulfonylamino-benzenesulfonamide N,N-diethyl-4-propylamino-3-styr…

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) 3.91 -7.5 -16.23 2 7 0 95 451.614 11 ↓

Analogs

7054452
7054452

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(4-chlorophenyl)vinylsulfonylamino]-N,N-dimethyl-benzamide 4-[2-(4-chlorophenyl)vinylsulfon…

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 -3.06 -14.45 1 5 0 66 364.854 5 ↓
Hi High (pH 8-9.5) 2.82 -2.48 -40 0 5 -1 68 363.846 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3,4-dimethyl-5-styrylsulfonylamino-benzenesulfonamide N,N-diethyl-3,4-dimethyl-5-styry…

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) 4.00 -5.55 -16.37 1 6 0 83 422.572 8 ↓
Hi High (pH 8-9.5) 4.00 -5.08 -50.19 0 6 -1 85 421.564 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-chlorophenyl)vinylsulfonylamino]-N,N-diethyl-4,5-dimethyl-benzenesulfonamide 3-[2-(4-chlorophenyl)vinylsulfon…

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 -5.69 -15.86 1 6 0 83 457.017 8 ↓
Hi High (pH 8-9.5) 4.68 -5.22 -46.49 0 6 -1 85 456.009 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-(styrylsulfonylamino)benzenesulfonamide N-ethyl-4-(styrylsulfonylamino)b…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 2.61 -14.65 2 6 0 92 366.464 7 ↓
Hi High (pH 8-9.5) 2.62 2.71 -43.36 1 6 -1 94 365.456 7 ↓

Analogs

21811839
21811839

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-(styrylsulfonylamino)benzoic 4,5-dimethoxy-2-(styrylsulfonyla…

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) 2.85 4.67 -49.66 1 7 -1 105 362.383 7 ↓
Hi High (pH 8-9.5) 2.85 4.75 -122.74 0 7 -2 107 361.375 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[(E)-2-(4-chlorophenyl)vinyl]sulfonylamino]-2-methoxy-benzoic 5-chloro-4-[[(E)-2-(4-chlorophen…

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) 4.44 7.37 -104.21 0 6 -2 98 400.239 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-(styrylsulfonylamino)benzoic 3-chloro-2-(styrylsulfonylamino)…

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) 3.85 7.14 -125.52 0 5 -2 88 335.768 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-[[(E)-2-(4-chlorophenyl)vinyl]sulfonylamino]benzoic 3-chloro-2-[[(E)-2-(4-chlorophen…

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) 4.53 7.67 -119.31 0 5 -2 88 370.213 5 ↓

Analogs

25525428
25525428

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-phenyl-N-[4-(sulfamoylmethyl)phenyl]ethenesulfonamide (E)-2-phenyl-N-[4-(sulfamoylmeth…

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) 1.94 1.24 -22.01 3 6 0 106 352.437 6 ↓
Hi High (pH 8-9.5) 1.94 1.92 -47.63 2 6 -1 104 351.429 6 ↓
Hi High (pH 8-9.5) 1.94 2 -94.77 1 6 -2 106 350.421 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(Z)-styryl]sulfonylamino]phenyl]prop-2-enoic (E)-3-[3-[[(Z)-styryl]sulfonylam…

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 7.68 -99.89 0 5 -2 88 327.361 6 ↓
Lo Low (pH 4.5-6) 3.13 7.27 -56.36 1 5 -1 86 328.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-N-(4-methoxyphenyl)-2-phenyl-ethenesulfonamide (Z)-N-(4-methoxyphenyl)-2-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) 3.24 5.12 -44.9 0 4 -1 57 288.348 5 ↓
Mid Mid (pH 6-8) 3.24 4.71 -12.16 1 4 0 55 289.356 5 ↓

Analogs

42653952
42653952
42653953
42653953

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-N-(4-fluorophenyl)-2-phenyl-ethenesulfonamide (Z)-N-(4-fluorophenyl)-2-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) 3.34 5.89 -40.08 0 3 -1 48 276.312 4 ↓
Lo Low (pH 4.5-6) 3.34 5.49 -11.25 1 3 0 46 277.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(4-iodo-2-methyl-phenyl)-2-phenyl-ethenesulfonamide (E)-N-(4-iodo-2-methyl-phenyl)-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) 4.64 7.49 -40.84 0 3 -1 48 398.245 4 ↓
Lo Low (pH 4.5-6) 4.64 7.5 -8.07 1 3 0 46 399.253 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[(E)-styryl]sulfonylamino]benzamide 4-methyl-3-[[(E)-styryl]sulfonyl…

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) 2.38 3.16 -58.25 2 5 -1 91 315.374 5 ↓
Lo Low (pH 4.5-6) 2.38 3.18 -18.94 3 5 0 89 316.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[4-[[(E)-styryl]sulfonylamino]phenoxy]acetamide N-methyl-2-[4-[[(E)-styryl]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) 2.34 4.47 -54.01 1 6 -1 87 345.4 7 ↓
Mid Mid (pH 6-8) 2.34 4.35 -17.84 2 6 0 85 346.408 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(E)-2-(4-chlorophenyl)vinyl]sulfonylamino]-2,4-difluoro-benzoic 5-[[(E)-2-(4-chlorophenyl)vinyl]…

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) 3.61 6.91 -101.62 0 5 -2 88 371.748 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(3-chloro-2-hydroxy-5-nitro-phenyl)-2-phenyl-ethenesulfonamide (E)-N-(3-chloro-2-hydroxy-5-nitr…

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 6.25 -34.67 1 7 -1 114 353.763 5 ↓
Mid Mid (pH 6-8) 3.45 6.98 -112.73 0 7 -2 117 352.755 5 ↓

Analogs

7053283
7053283

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(3-nitrophenyl)-2-(p-tolyl)ethenesulfonamide (E)-N-(3-nitrophenyl)-2-(p-tolyl…

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) 3.56 7.01 -38.26 0 6 -1 94 317.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(E)-2-(4-chlorophenyl)vinyl]sulfonylamino]benzoic 2-chloro-5-[[(E)-2-(4-chlorophen…

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) 4.04 7.11 -101.73 0 5 -2 88 370.213 5 ↓
Lo Low (pH 4.5-6) 4.04 7.08 -47.87 1 5 -1 86 371.221 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methylsulfanyl-4-[[(E)-2-(p-tolyl)vinyl]sulfonylamino]benzoic 3-methylsulfanyl-4-[[(E)-2-(p-to…

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) 3.90 7.94 -108.96 0 5 -2 88 361.444 6 ↓
Lo Low (pH 4.5-6) 3.90 7.92 -50.03 1 5 -1 86 362.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[3-[[(E)-2-(p-tolyl)vinyl]sulfonylamino]phenyl]methyl]acetamide N-ethyl-N-[[3-[[(E)-2-(p-tolyl)v…

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) 3.15 8.31 -57.43 0 5 -1 69 371.482 7 ↓
Lo Low (pH 4.5-6) 3.15 8.31 -14.5 1 5 0 66 372.49 7 ↓

Analogs

55615404
55615404

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-3-[[(E)-styryl]sulfonylamino]phenyl]propanamide N-[4-methyl-3-[[(E)-styryl]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) 3.61 6.11 -47.96 1 5 -1 77 343.428 6 ↓
Lo Low (pH 4.5-6) 3.61 6.11 -12.86 2 5 0 75 344.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N,4-trimethyl-3-[[(E)-styryl]sulfonylamino]benzamide N,N,4-trimethyl-3-[[(E)-styryl]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) 2.52 6.24 -58.82 0 5 -1 69 343.428 5 ↓
Lo Low (pH 4.5-6) 2.52 6.26 -19.03 1 5 0 66 344.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-[[(E)-styryl]sulfonylamino]benzamide 4-methoxy-3-[[(E)-styryl]sulfony…

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) 1.98 1.76 -61.72 2 6 -1 101 331.373 6 ↓
Lo Low (pH 4.5-6) 1.98 1.79 -19.35 3 6 0 98 332.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[[(E)-styryl]sulfonylamino]phenoxy]propanoic 3-[4-[[(E)-styryl]sulfonylamino]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 6.59 -95.55 0 6 -2 98 345.376 8 ↓
Mid Mid (pH 6-8) 2.75 6.56 -46.54 1 6 -1 96 346.384 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(E)-styryl]sulfonylamino]phenyl]methylurea [4-[[(E)-styryl]sulfonylamino]ph…

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) 2.01 1.85 -47.43 3 6 -1 103 330.389 6 ↓
Lo Low (pH 4.5-6) 2.01 1.82 -15.03 4 6 0 101 331.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[3-[[(E)-styryl]sulfonylamino]phenyl]urea 1-ethyl-3-[3-[[(E)-styryl]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) 3.04 4.02 -57.22 2 6 -1 89 344.416 6 ↓
Lo Low (pH 4.5-6) 3.04 4.03 -14.82 3 6 0 87 345.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-(2-chlorophenyl)-N-[4-(2-hydroxyethyl)phenyl]ethenesulfonamide (E)-2-(2-chlorophenyl)-N-[4-(2-h…

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 4.17 -47.02 1 4 -1 68 336.82 6 ↓
Mid Mid (pH 6-8) 3.18 4.14 -11.42 2 4 0 66 337.828 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-2-phenyl-ethenesulfonamide (E)-N-[2-(2-cyanoethylsulfanyl)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) 3.02 8.1 -47.42 0 4 -1 72 343.453 7 ↓
Lo Low (pH 4.5-6) 3.02 8.09 -13.59 1 4 0 70 344.461 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-(4-chlorophenyl)-N-[4-(hydroxymethyl)phenyl]ethenesulfonamide (E)-2-(4-chlorophenyl)-N-[4-(hyd…

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) 3.19 3.48 -44.99 1 4 -1 68 322.793 5 ↓
Lo Low (pH 4.5-6) 3.19 3.36 -11.29 2 4 0 66 323.801 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[4-(hydroxymethyl)phenyl]-2-phenyl-ethenesulfonamide (E)-N-[4-(hydroxymethyl)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) 2.52 2.96 -48.09 1 4 -1 68 288.348 5 ↓
Lo Low (pH 4.5-6) 2.52 2.93 -11.11 2 4 0 66 289.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(2,3-difluorophenyl)-2-phenyl-ethenesulfonamide (E)-N-(2,3-difluorophenyl)-2-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) 3.41 5.76 -42.41 0 3 -1 48 294.302 4 ↓
Mid Mid (pH 6-8) 3.41 5.76 -9.57 1 3 0 46 295.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-[[(E)-styryl]sulfonylamino]phenyl]acetamide N,N-dimethyl-2-[4-[[(E)-styryl]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) 2.27 6.45 -16.6 1 5 0 66 344.436 6 ↓
Mid Mid (pH 6-8) 2.27 6.56 -56.39 0 5 -1 69 343.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-phenyl-ethenesulfonamide (E)-N-[2-[(1S)-1-hydroxyethyl]ph…

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) 2.69 3.93 -43.35 1 4 -1 68 302.375 5 ↓
Lo Low (pH 4.5-6) 2.69 3.96 -9.38 2 4 0 66 303.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[2-[(1R)-1-hydroxyethyl]phenyl]-2-phenyl-ethenesulfonamide (E)-N-[2-[(1R)-1-hydroxyethyl]ph…

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) 2.69 3.93 -43.37 1 4 -1 68 302.375 5 ↓
Lo Low (pH 4.5-6) 2.69 3.94 -9.39 2 4 0 66 303.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[[(E)-styryl]sulfonylamino]benzoic 5-methyl-2-[[(E)-styryl]sulfonyl…

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) 3.65 7.08 -127.78 0 5 -2 88 315.35 5 ↓
Lo Low (pH 4.5-6) 3.65 7.07 -50.54 1 5 -1 86 316.358 5 ↓

Parameters Provided:

ring.id = 9958
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 = 9958 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=9958&filter.purchasability=annotated

Embed Link to Results