Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_50ktnja7trv0iubus2njggrtk0, 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: N1-(1,1-dioxothian-4-yl)-4-methyl-benzene-1,3-diamine N1-(1,1-dioxothian-4-yl)-4-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) 2.11 1.36 -12.46 3 4 0 72 254.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,1-dioxothian-4-yl)-4-nitro-benzene-1,2-diamine N1-(1,1-dioxothian-4-yl)-4-nitro…

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) 1.62 1.57 -19.63 3 7 0 118 285.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(1,1-dioxothian-4-yl)amino]benzenecarbothioamide 5-chloro-2-[(1,1-dioxothian-4-yl…

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) 2.66 2.41 -21 3 4 0 72 318.851 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[(1,1-dioxothian-4-yl)amino]benzenecarbothioamide 2-chloro-6-[(1,1-dioxothian-4-yl…

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) 2.63 2.35 -21.52 3 4 0 72 318.851 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxothian-4-yl)amino]-6-fluoro-benzonitrile 2-[(1,1-dioxothian-4-yl)amino]-6…

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) 2.08 3.12 -19.31 1 4 0 70 268.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-(1,1-dioxothian-4-yl)-2-(trifluoromethyl)benzene-1,4-diamine N4-(1,1-dioxothian-4-yl)-2-(trif…

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) 2.56 1.73 -14.03 3 4 0 72 308.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-(1,1-dioxothian-4-yl)benzene-1,2-diamine N2-(1,1-dioxothian-4-yl)benzene-…

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) 1.69 0.85 -12.43 3 4 0 72 240.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,1-dioxothian-4-yl)-4-(trifluoromethyl)benzene-1,2-diamine N1-(1,1-dioxothian-4-yl)-4-(trif…

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) 2.56 1.87 -14.41 3 4 0 72 308.325 3 ↓

Analogs

37781306
37781306

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N1-(1,1-dioxothian-4-yl)benzene-1,4-diamine 2-chloro-N1-(1,1-dioxothian-4-yl…

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) 1.93 1.16 -12.94 3 4 0 72 274.773 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,1-dioxothian-4-yl)benzene-1,4-diamine N1-(1,1-dioxothian-4-yl)benzene-…

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) 1.33 0.58 -12.27 3 4 0 72 240.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N1-(1,1-dioxothian-4-yl)benzene-1,2-diamine 4-chloro-N1-(1,1-dioxothian-4-yl…

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 1.38 -13.36 3 4 0 72 274.773 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,1-dioxothian-4-yl)-4-fluoro-benzene-1,2-diamine N1-(1,1-dioxothian-4-yl)-4-fluor…

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) 1.83 0.91 -14.23 3 4 0 72 258.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide 3-amino-4-[(1,1-dioxothian-4-yl)…

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) 0.36 -4.2 -21.1 5 7 0 132 319.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(1,1-dioxothian-4-yl)amino]benzonitrile 3-amino-4-[(1,1-dioxothian-4-yl)…

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) 1.42 1.23 -17.06 3 5 0 96 265.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,1-dioxothian-4-yl)-2-fluoro-benzene-1,4-diamine N1-(1,1-dioxothian-4-yl)-2-fluor…

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) 1.42 0.66 -13.68 3 4 0 72 258.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,1-dioxothian-4-yl)-2-methyl-benzene-1,4-diamine N1-(1,1-dioxothian-4-yl)-2-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) 1.71 1.35 -12.36 3 4 0 72 254.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,1-dioxothian-4-yl)benzene-1,3-diamine N1-(1,1-dioxothian-4-yl)benzene-…

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) 1.30 0.57 -12.5 3 4 0 72 240.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N2-(1,1-dioxothian-4-yl)benzene-1,2-diamine 3-chloro-N2-(1,1-dioxothian-4-yl…

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) 2.32 1.87 -10.9 3 4 0 72 274.773 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-(1,1-dioxothian-4-yl)-2-methyl-benzene-1,4-diamine N4-(1,1-dioxothian-4-yl)-2-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) 2.11 1.34 -12.34 3 4 0 72 254.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,1-dioxothian-4-yl)-4-methylsulfonyl-benzene-1,2-diamine N1-(1,1-dioxothian-4-yl)-4-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) 0.53 -1.61 -21.94 3 6 0 106 318.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(1,1-dioxothian-4-yl)amino]-N-methyl-benzenesulfonamide 3-amino-4-[(1,1-dioxothian-4-yl)…

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) 0.73 -2.97 -20.79 4 7 0 118 333.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(1,1-dioxothian-4-yl)amino]benzamide 3-amino-4-[(1,1-dioxothian-4-yl)…

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) 0.48 -2.38 -20.65 5 6 0 115 283.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N1-(1,1-dioxothian-4-yl)benzene-1,2-diamine 4-bromo-N1-(1,1-dioxothian-4-yl)…

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) 2.47 1.48 -13.34 3 4 0 72 319.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,1-dioxothian-4-yl)-4-methyl-benzene-1,2-diamine N1-(1,1-dioxothian-4-yl)-4-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) 2.11 1.52 -12.45 3 4 0 72 254.355 2 ↓

Analogs

44269876
44269876
44269986
44269986

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxothian-4-yl)amino]-2-(trifluoromethyl)benzonitrile 4-[(1,1-dioxothian-4-yl)amino]-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) 2.83 3.87 -20.42 1 4 0 70 318.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxothian-4-yl)amino]-5-(trifluoromethyl)benzonitrile 2-[(1,1-dioxothian-4-yl)amino]-5…

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) 2.83 4.1 -17.65 1 4 0 70 318.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxothian-4-yl)amino]benzenecarbothioamide 2-[(1,1-dioxothian-4-yl)amino]be…

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) 2.00 1.89 -20.41 3 4 0 72 284.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxothian-4-yl)amino]benzenecarbothioamide 4-[(1,1-dioxothian-4-yl)amino]be…

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) 2.05 1.91 -23.84 3 4 0 72 284.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxothian-4-yl)amino]-3-nitro-benzoic 4-[(1,1-dioxothian-4-yl)amino]-3…

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) 2.05 4.19 -56.52 1 8 -1 132 313.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxothian-4-yl)amino]-5-nitro-benzoic 2-[(1,1-dioxothian-4-yl)amino]-5…

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 4.23 -54.51 1 8 -1 132 313.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxothian-4-yl)amino]-2-nitro-benzoic 5-[(1,1-dioxothian-4-yl)amino]-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) 2.23 4.38 -71.61 1 8 -1 132 313.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxothian-4-yl)amino]-5-nitro-benzonitrile 2-[(1,1-dioxothian-4-yl)amino]-5…

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) 1.89 3.81 -21.88 1 7 0 116 295.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-nitrophenyl)-1,1-dioxo-thian-4-amine N-(2-nitrophenyl)-1,1-dioxo-thia…

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) 2.16 3.66 -18.31 1 6 0 92 270.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-nitro-phenyl)-1,1-dioxo-thian-4-amine N-(4-chloro-2-nitro-phenyl)-1,1-…

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) 2.82 4.19 -17.84 1 6 0 92 304.755 3 ↓

Analogs

37982199
37982199
37982200
37982200

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-nitro-phenyl)-1,1-dioxo-thian-4-amine N-(4-bromo-2-nitro-phenyl)-1,1-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) 2.95 4.3 -17.76 1 6 0 92 349.206 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxothian-4-yl)amino]-3-nitro-benzonitrile 4-[(1,1-dioxothian-4-yl)amino]-3…

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) 1.89 4.06 -21.9 1 7 0 116 295.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-nitrophenyl)-1,1-dioxo-thian-4-amine N-(4-nitrophenyl)-1,1-dioxo-thia…

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) 2.21 3.42 -19.33 1 6 0 92 270.31 3 ↓

Analogs

43474240
43474240

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-nitro-phenyl)-1,1-dioxo-thian-4-amine N-(2-fluoro-4-nitro-phenyl)-1,1-…

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) 2.30 3.5 -18.88 1 6 0 92 288.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-4-nitro-phenyl)-1,1-dioxo-thian-4-amine N-(2-methyl-4-nitro-phenyl)-1,1-…

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) 2.59 4.21 -19.04 1 6 0 92 284.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methyl-4-nitro-phenyl)-1,1-dioxo-thian-4-amine N-(3-methyl-4-nitro-phenyl)-1,1-…

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) 2.59 4.03 -18.75 1 6 0 92 284.337 3 ↓

Analogs

37998864
37998864
37998865
37998865

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethylsulfonyl)phenyl]-1,1-dioxo-thian-4-amine N-[4-(difluoromethylsulfonyl)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) 1.68 0.63 -18.93 1 5 0 80 339.385 4 ↓

Analogs

37982189
37982189
37982190
37982190

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxothian-4-yl)amino]-3-nitro-benzamide 4-[(1,1-dioxothian-4-yl)amino]-3…

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) 0.96 0.45 -28 3 8 0 135 313.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dioxo-N-(2-propylsulfonylphenyl)thian-4-amine 1,1-dioxo-N-(2-propylsulfonylphe…

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) 2.39 2.37 -19.81 1 5 0 80 331.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxothian-4-yl)amino]-N-ethyl-benzenesulfonamide 2-[(1,1-dioxothian-4-yl)amino]-N…

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) 1.65 0.2 -20.44 2 6 0 92 332.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylsulfonylphenyl)-1,1-dioxo-thian-4-amine N-(2-methylsulfonylphenyl)-1,1-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) 1.51 0.68 -20.38 1 5 0 80 303.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dioxo-N-(4-propylsulfonylphenyl)thian-4-amine 1,1-dioxo-N-(4-propylsulfonylphe…

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) 2.00 1.92 -20.37 1 5 0 80 331.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxothian-4-yl)amino]-N-methyl-benzenesulfonamide 4-[(1,1-dioxothian-4-yl)amino]-N…

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) 1.32 -1.12 -19.86 2 6 0 92 318.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylsulfonylphenyl)-1,1-dioxo-thian-4-amine N-(4-ethylsulfonylphenyl)-1,1-di…

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) 1.50 1.11 -20.56 1 5 0 80 317.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(difluoromethylsulfonyl)phenyl]-1,1-dioxo-thian-4-amine N-[2-(difluoromethylsulfonyl)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) 2.07 1.37 -18.41 1 5 0 80 339.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylsulfonylphenyl)-1,1-dioxo-thian-4-amine N-(2-ethylsulfonylphenyl)-1,1-di…

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) 1.89 1.58 -20.03 1 5 0 80 317.432 4 ↓

Parameters Provided:

ring.id = 6216
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 = 6216 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6216&filter.purchasability=annotated

Embed Link to Results