Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_r2r9kdmtvrs61sehsivsall9n7, 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: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-phenyl-ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.34 2.57 -12.27 1 4 0 49 268.382 5 ↓
Mid Mid (pH 6-8) 1.34 3.73 -64.37 2 4 1 54 269.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-phenyl-ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.34 2.61 -12.48 1 4 0 49 268.382 5 ↓
Mid Mid (pH 6-8) 1.34 3.75 -64.05 2 4 1 54 269.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-N-phenyl-ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.72 3.51 -12.14 1 4 0 49 282.409 6 ↓
Mid Mid (pH 6-8) 1.72 4.67 -64.92 2 4 1 54 283.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-N-phenyl-ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.72 3.54 -12.3 1 4 0 49 282.409 6 ↓
Mid Mid (pH 6-8) 1.72 4.68 -64.69 2 4 1 54 283.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(o-tolyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 2.12 4.69 -11.24 1 4 0 49 296.436 6 ↓
Mid Mid (pH 6-8) 2.12 5.86 -62.31 2 4 1 54 297.444 6 ↓
Mid Mid (pH 6-8) 2.12 4.41 -45.49 2 4 1 51 297.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(o-tolyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 2.12 4.72 -11.64 1 4 0 49 296.436 6 ↓
Mid Mid (pH 6-8) 2.12 5.88 -62.17 2 4 1 54 297.444 6 ↓
Mid Mid (pH 6-8) 2.12 4.43 -46.8 2 4 1 51 297.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N'-(4-fluorophenyl)-N-methyl-ethane-1,2-diamine N-[(3R)-1,1-dioxothiolan-3-yl]-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) 1.51 1.45 -13.88 1 4 0 49 286.372 5 ↓
Mid Mid (pH 6-8) 1.51 3.94 -63.85 2 4 1 51 287.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N'-(4-fluorophenyl)-N-methyl-ethane-1,2-diamine N-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.51 1.69 -14.04 1 4 0 49 286.372 5 ↓
Mid Mid (pH 6-8) 1.51 3.97 -64.32 2 4 1 51 287.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-bromophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(2-bromophenyl)-N-[(3R)-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) 2.11 2.1 -12.36 1 4 0 49 347.278 5 ↓
Mid Mid (pH 6-8) 2.11 4.59 -60.26 2 4 1 51 348.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-bromophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(2-bromophenyl)-N-[(3S)-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) 2.11 2.34 -12.43 1 4 0 49 347.278 5 ↓
Mid Mid (pH 6-8) 2.11 4.62 -59.97 2 4 1 51 348.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(2-chlorophenyl)-N-[(3R)-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) 1.98 1.98 -12.33 1 4 0 49 302.827 5 ↓
Mid Mid (pH 6-8) 1.98 4.46 -60.18 2 4 1 51 303.835 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(2-chlorophenyl)-N-[(3S)-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) 1.98 2.22 -12.44 1 4 0 49 302.827 5 ↓
Mid Mid (pH 6-8) 1.98 4.49 -59.95 2 4 1 51 303.835 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N'-methyl-N-(m-tolyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.77 2.05 -12.73 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.77 4.55 -59.6 2 4 1 51 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N'-methyl-N-(m-tolyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.77 2.29 -12.92 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.77 4.57 -59.89 2 4 1 51 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N'-methyl-N-(p-tolyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.79 2.06 -12.68 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.79 4.56 -59.54 2 4 1 51 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N'-methyl-N-(p-tolyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.79 2.3 -12.79 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.79 4.58 -59.78 2 4 1 51 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(4-chlorophenyl)-N-[(3R)-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) 2.02 1.9 -13.11 1 4 0 49 302.827 5 ↓
Mid Mid (pH 6-8) 2.02 4.39 -62.6 2 4 1 51 303.835 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(4-chlorophenyl)-N-[(3S)-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) 2.02 2.15 -13.29 1 4 0 49 302.827 5 ↓
Mid Mid (pH 6-8) 2.02 4.42 -63.09 2 4 1 51 303.835 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N'-(2-fluorophenyl)-N-methyl-ethane-1,2-diamine N-[(3R)-1,1-dioxothiolan-3-yl]-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) 1.46 1.47 -13.07 1 4 0 49 286.372 5 ↓
Mid Mid (pH 6-8) 1.46 3.96 -61.03 2 4 1 51 287.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N'-(2-fluorophenyl)-N-methyl-ethane-1,2-diamine N-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.46 1.72 -13.12 1 4 0 49 286.372 5 ↓
Mid Mid (pH 6-8) 1.46 3.99 -60.79 2 4 1 51 287.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(3-chlorophenyl)-N-[(3R)-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) 2.00 1.9 -12.87 1 4 0 49 302.827 5 ↓
Mid Mid (pH 6-8) 2.00 4.39 -62.51 2 4 1 51 303.835 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(3-chlorophenyl)-N-[(3S)-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) 2.00 2.15 -13.01 1 4 0 49 302.827 5 ↓
Mid Mid (pH 6-8) 2.00 4.42 -62.61 2 4 1 51 303.835 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N'-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine N-[(3R)-1,1-dioxothiolan-3-yl]-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) 1.48 1.45 -13.58 1 4 0 49 286.372 5 ↓
Mid Mid (pH 6-8) 1.48 3.94 -63.74 2 4 1 51 287.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N'-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine N-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.48 1.69 -13.67 1 4 0 49 286.372 5 ↓
Mid Mid (pH 6-8) 1.48 3.97 -63.94 2 4 1 51 287.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-bromophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(3-bromophenyl)-N-[(3R)-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) 2.13 2.01 -12.82 1 4 0 49 347.278 5 ↓
Mid Mid (pH 6-8) 2.13 4.49 -62.49 2 4 1 51 348.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-bromophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(3-bromophenyl)-N-[(3S)-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) 2.13 2.25 -12.95 1 4 0 49 347.278 5 ↓
Mid Mid (pH 6-8) 2.13 4.52 -62.65 2 4 1 51 348.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N'-methyl-N-(o-tolyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.75 2.18 -12.77 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.75 4.68 -59.99 2 4 1 51 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N'-methyl-N-(o-tolyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.75 2.42 -12.97 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.75 4.71 -60.45 2 4 1 51 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-bromophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(4-bromophenyl)-N-[(3R)-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) 2.15 2.01 -13.08 1 4 0 49 347.278 5 ↓
Mid Mid (pH 6-8) 2.15 4.49 -62.79 2 4 1 51 348.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-bromophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-(4-bromophenyl)-N-[(3S)-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) 2.15 2.25 -13.31 1 4 0 49 347.278 5 ↓
Mid Mid (pH 6-8) 2.15 4.52 -63.26 2 4 1 51 348.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(m-tolyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 2.15 4.18 -12.2 1 4 0 49 296.436 6 ↓
Mid Mid (pH 6-8) 2.15 5.34 -64.9 2 4 1 54 297.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(m-tolyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 2.15 4.21 -12.36 1 4 0 49 296.436 6 ↓
Mid Mid (pH 6-8) 2.15 5.35 -64.58 2 4 1 54 297.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.84 3.91 -12.01 1 4 0 49 300.399 6 ↓
Mid Mid (pH 6-8) 1.84 5.09 -57.5 2 4 1 54 301.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.84 3.95 -11.85 1 4 0 49 300.399 6 ↓
Mid Mid (pH 6-8) 1.84 5.11 -56.93 2 4 1 54 301.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(4-fluorophenyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.88 3.58 -13.43 1 4 0 49 300.399 6 ↓
Mid Mid (pH 6-8) 1.88 4.74 -69.46 2 4 1 54 301.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(4-fluorophenyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.88 3.61 -13.6 1 4 0 49 300.399 6 ↓
Mid Mid (pH 6-8) 1.88 4.75 -69.21 2 4 1 54 301.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.38 1.87 -14.07 1 5 0 59 298.408 6 ↓
Mid Mid (pH 6-8) 1.38 3.03 -67.21 2 5 1 63 299.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.38 1.9 -14.36 1 5 0 59 298.408 6 ↓
Mid Mid (pH 6-8) 1.38 3.05 -66.99 2 5 1 63 299.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-(m-tolyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.77 3.24 -12.22 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.77 4.41 -64.04 2 4 1 54 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-(m-tolyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.77 3.27 -13.09 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.77 4.42 -64.05 2 4 1 54 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(p-tolyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 2.17 4.19 -12.06 1 4 0 49 296.436 6 ↓
Mid Mid (pH 6-8) 2.17 5.35 -64.85 2 4 1 54 297.444 6 ↓
Mid Mid (pH 6-8) 2.17 4.27 -74.46 2 4 0 51 297.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(p-tolyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 2.17 4.22 -12.21 1 4 0 49 296.436 6 ↓
Mid Mid (pH 6-8) 2.17 4.3 -75.98 2 4 0 51 297.444 6 ↓
Mid Mid (pH 6-8) 2.17 5.36 -64.57 2 4 1 54 297.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-methyl-ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.51 2.64 -13.58 1 4 0 49 286.372 5 ↓
Mid Mid (pH 6-8) 1.51 3.8 -68.8 2 4 1 54 287.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-methyl-ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.51 2.67 -13.8 1 4 0 49 286.372 5 ↓
Mid Mid (pH 6-8) 1.51 3.82 -68.58 2 4 1 54 287.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-(p-tolyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.79 3.25 -12.18 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.79 4.42 -64.13 2 4 1 54 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-(p-tolyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.79 3.28 -12.95 1 4 0 49 282.409 5 ↓
Mid Mid (pH 6-8) 1.79 4.43 -64.01 2 4 1 54 283.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.35 2.44 -12.15 1 5 0 59 298.408 6 ↓
Mid Mid (pH 6-8) 1.35 3.62 -57.36 2 5 1 63 299.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyphenyl)-N-methyl-ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.35 2.48 -12.47 1 5 0 59 298.408 6 ↓
Mid Mid (pH 6-8) 1.35 3.64 -57.12 2 5 1 63 299.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(3-fluorophenyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-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) 1.86 3.58 -13.45 1 4 0 49 300.399 6 ↓
Mid Mid (pH 6-8) 1.86 4.74 -70.21 2 4 1 54 301.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(3-fluorophenyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-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) 1.86 3.61 -13.81 1 4 0 49 300.399 6 ↓
Mid Mid (pH 6-8) 1.86 4.75 -69.99 2 4 1 54 301.407 6 ↓

Parameters Provided:

ring.id = 47469
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 = 47469 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=47469&filter.purchasability=annotated

Embed Link to Results