Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_i2v7depgb81b9r1nik7ao5hm36, 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-(2-amino-5-fluoro-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-5-fluoro-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) 0.61 1.62 -63.03 4 6 1 94 316.378 4 ↓
Hi High (pH 8-9.5) 0.61 -0.8 -22.48 3 6 0 93 315.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-5-fluoro-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) 0.61 1.66 -66.29 4 6 1 94 316.378 4 ↓
Hi High (pH 8-9.5) 0.61 -0.54 -23.14 3 6 0 93 315.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-bromo-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(4-amino-2-bromo-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) 0.85 2.04 -57.14 4 6 1 94 377.284 4 ↓
Hi High (pH 8-9.5) 0.85 -0.39 -17.41 3 6 0 93 376.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-bromo-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(4-amino-2-bromo-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) 0.85 2.08 -59.42 4 6 1 94 377.284 4 ↓
Hi High (pH 8-9.5) 0.85 -0.13 -17.88 3 6 0 93 376.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-N-methyl-acetamide N-(4-aminophenyl)-2-[[(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) -0.01 2.97 -58.2 3 6 1 85 312.415 4 ↓
Hi High (pH 8-9.5) -0.01 0.54 -20.34 2 6 0 84 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-N-methyl-acetamide N-(4-aminophenyl)-2-[[(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) -0.01 3 -61.2 3 6 1 85 312.415 4 ↓
Hi High (pH 8-9.5) -0.01 0.8 -20.85 2 6 0 84 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-chloro-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(5-amino-2-chloro-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) 0.72 1.91 -59.7 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 0.72 -0.28 -17.08 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-chloro-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(5-amino-2-chloro-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) 0.72 1.95 -60.18 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 0.72 -0.26 -18.05 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-6-methyl-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-6-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) 0.87 2.24 -62.17 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.87 0.04 -18.78 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-6-methyl-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-6-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) 0.87 2.26 -63.33 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.87 0.06 -19.91 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-methyl-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-4-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) 0.89 2.23 -60.1 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.89 -0.19 -20.12 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-methyl-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-4-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) 0.89 2.27 -62.82 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.89 0.06 -20.47 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-methyl-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-amino-4-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) 0.89 2.03 -59.56 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.89 -0.38 -20.18 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-methyl-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-amino-4-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) 0.89 2.07 -62.26 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.89 -0.12 -20.51 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-fluoro-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-amino-4-fluoro-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) 0.61 1.37 -62.86 4 6 1 94 316.378 4 ↓
Hi High (pH 8-9.5) 0.61 -1.06 -20.62 3 6 0 93 315.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-fluoro-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-amino-4-fluoro-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) 0.61 1.38 -64.06 4 6 1 94 316.378 4 ↓
Hi High (pH 8-9.5) 0.61 -1.02 -20.88 3 6 0 93 315.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methyl-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(5-amino-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) 0.49 2.17 -59.99 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.49 -0.26 -19.62 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methyl-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(5-amino-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) 0.49 2.21 -62.66 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.49 -0 -20.08 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-aminophenyl)-2-[[(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) 0.09 1.28 -59.51 4 6 1 94 298.388 4 ↓
Hi High (pH 8-9.5) 0.09 -1.15 -19.97 3 6 0 93 297.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-aminophenyl)-2-[[(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) 0.09 1.32 -62.18 4 6 1 94 298.388 4 ↓
Hi High (pH 8-9.5) 0.09 -0.89 -20.43 3 6 0 93 297.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-4-chloro-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) 1.12 2.09 -62.69 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 1.12 -0.33 -19.9 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-4-chloro-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) 1.12 2.11 -63.89 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 1.12 -0.29 -20.66 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(4-aminophenyl)-2-[[(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) 0.11 1.28 -58.87 4 6 1 94 298.388 4 ↓
Hi High (pH 8-9.5) 0.11 -1.15 -19.8 3 6 0 93 297.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(4-aminophenyl)-2-[[(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) 0.11 1.31 -61.51 4 6 1 94 298.388 4 ↓
Hi High (pH 8-9.5) 0.11 -0.89 -20.25 3 6 0 93 297.38 4 ↓

Analogs

20678534
20678534
20678538
20678538

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(5-amino-2-fluoro-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) 0.20 1.4 -60.45 4 6 1 94 316.378 4 ↓
Hi High (pH 8-9.5) 0.20 -0.78 -17.69 3 6 0 93 315.37 4 ↓

Analogs

20678534
20678534
20678538
20678538

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(5-amino-2-fluoro-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) 0.20 1.42 -60.85 4 6 1 94 316.378 4 ↓
Hi High (pH 8-9.5) 0.20 -0.79 -18.61 3 6 0 93 315.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-amino-4-chloro-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) 1.12 1.86 -61.75 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 1.12 -0.57 -19.95 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-amino-4-chloro-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) 1.12 1.87 -62.93 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 1.12 -0.53 -20.14 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-aminophenyl)-2-[[(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) 0.47 1.57 -60.09 4 6 1 94 298.388 4 ↓
Hi High (pH 8-9.5) 0.47 -0.85 -19.89 3 6 0 93 297.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-aminophenyl)-2-[[(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) 0.47 1.6 -62.9 4 6 1 94 298.388 4 ↓
Hi High (pH 8-9.5) 0.47 -0.6 -20.47 3 6 0 93 297.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-chloro-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(4-amino-2-chloro-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) 0.72 1.91 -57.3 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 0.72 -0.52 -17.57 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-chloro-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(4-amino-2-chloro-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) 0.72 1.95 -59.57 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 0.72 -0.26 -18 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide (2S)-N-(3-aminophenyl)-2-[[(3R)-…

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) 0.05 1.54 -55.51 4 6 1 94 312.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide (2R)-N-(3-aminophenyl)-2-[[(3R)-…

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) 0.05 1.61 -56.78 4 6 1 94 312.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methyl-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(4-amino-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) 0.49 2.15 -59.33 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.49 -0.27 -19.9 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methyl-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(4-amino-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) 0.49 2.18 -60.45 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.49 -0.22 -20.52 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-fluoro-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-4-fluoro-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) 0.61 1.62 -63.58 4 6 1 94 316.378 4 ↓
Hi High (pH 8-9.5) 0.61 -0.8 -20.53 3 6 0 93 315.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-fluoro-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-4-fluoro-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) 0.61 1.65 -64.76 4 6 1 94 316.378 4 ↓
Hi High (pH 8-9.5) 0.61 -0.76 -21.26 3 6 0 93 315.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-chloro-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-5-chloro-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) 1.12 2.08 -61.95 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 1.12 -0.34 -21.26 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-chloro-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(2-amino-5-chloro-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) 1.12 2.11 -65.18 4 6 1 94 332.833 4 ↓
Hi High (pH 8-9.5) 1.12 -0.09 -21.93 3 6 0 93 331.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-2-methyl-phenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-amino-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) 0.87 2.29 -61.8 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.87 0.09 -19.63 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-2-methyl-phenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-(3-amino-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) 0.87 2.31 -62.87 4 6 1 94 312.415 4 ↓
Hi High (pH 8-9.5) 0.87 0.1 -20.66 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide (2S)-N-(4-aminophenyl)-2-[[(3R)-…

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) 0.07 1.54 -54.87 4 6 1 94 312.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide (2R)-N-(4-aminophenyl)-2-[[(3R)-…

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) 0.07 1.59 -56.23 4 6 1 94 312.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide (2S)-N-(2-aminophenyl)-2-[[(3R)-…

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) 0.43 1.85 -55.66 4 6 1 94 312.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-aminophenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide (2R)-N-(2-aminophenyl)-2-[[(3R)-…

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) 0.43 1.79 -56.55 4 6 1 94 312.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(aminomethyl)phenyl]-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-[3-(aminomethyl)phenyl]-2-[[(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) 0.19 1.44 -117.4 5 6 2 95 313.423 5 ↓
Hi High (pH 8-9.5) 0.19 -0.99 -66.32 4 6 1 94 312.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(aminomethyl)phenyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-[3-(aminomethyl)phenyl]-2-[[(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) 0.19 1.48 -121.11 5 6 2 95 313.423 5 ↓
Hi High (pH 8-9.5) 0.19 -0.73 -66.6 4 6 1 94 312.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(aminomethyl)phenyl]-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-[4-(aminomethyl)phenyl]-2-[[(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) 0.22 1.44 -112.03 5 6 2 95 313.423 5 ↓
Hi High (pH 8-9.5) 0.22 -0.99 -60.04 4 6 1 94 312.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(aminomethyl)phenyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-[4-(aminomethyl)phenyl]-2-[[(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) 0.22 1.48 -114.33 5 6 2 95 313.423 5 ↓
Hi High (pH 8-9.5) 0.22 -0.73 -60.26 4 6 1 94 312.415 5 ↓

Parameters Provided:

ring.id = 60284
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 = 60284 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=60284&filter.purchasability=annotated

Embed Link to Results