UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-(3-pyridyl)propanamide (2R)-2-amino-2-phenyl-N-(3-pyrid…

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 3.16 -8.11 3 4 0 68 241.294 3 ↓
Mid Mid (pH 6-8) 1.48 3.48 -56.27 4 4 1 70 242.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-(3-pyridyl)propanamide (2S)-2-amino-2-phenyl-N-(3-pyrid…

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 3.19 -9.22 3 4 0 68 241.294 3 ↓
Mid Mid (pH 6-8) 1.48 3.46 -55.69 4 4 1 70 242.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-(6-methoxy-3-pyridyl)-2-phenyl-propanamide (2R)-2-amino-N-(6-methoxy-3-pyri…

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 1.7 -9.82 3 5 0 77 271.32 4 ↓
Mid Mid (pH 6-8) 1.88 1.95 -58.65 4 5 1 79 272.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-(6-methoxy-3-pyridyl)-2-phenyl-propanamide (2S)-2-amino-N-(6-methoxy-3-pyri…

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 1.58 -8.56 3 5 0 77 271.32 4 ↓
Mid Mid (pH 6-8) 1.88 1.92 -57.87 4 5 1 79 272.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[4-(dimethylamino)-3-pyridyl]-2-phenyl-propanamide (2R)-2-amino-N-[4-(dimethylamino…

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 4.61 -30.55 4 5 1 72 285.371 4 ↓
Hi High (pH 8-9.5) 1.51 4.15 -8.79 3 5 0 71 284.363 4 ↓
Mid Mid (pH 6-8) 1.51 4.93 -99.8 5 5 2 74 286.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[4-(dimethylamino)-3-pyridyl]-2-phenyl-propanamide (2S)-2-amino-N-[4-(dimethylamino…

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 4.71 -32.31 4 5 1 72 285.371 4 ↓
Hi High (pH 8-9.5) 1.51 4.24 -9.41 3 5 0 71 284.363 4 ↓
Mid Mid (pH 6-8) 1.51 4.94 -99.19 5 5 2 74 286.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-(2-chloro-3-pyridyl)-2-phenyl-propanamide (2R)-2-amino-N-(2-chloro-3-pyrid…

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) 2.29 3.71 -7.4 3 4 0 68 275.739 3 ↓
Mid Mid (pH 6-8) 2.29 4.03 -52.08 4 4 1 70 276.747 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-(2-chloro-3-pyridyl)-2-phenyl-propanamide (2S)-2-amino-N-(2-chloro-3-pyrid…

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) 2.29 3.81 -7.43 3 4 0 68 275.739 3 ↓
Mid Mid (pH 6-8) 2.29 4.03 -52.2 4 4 1 70 276.747 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[6-(dimethylamino)-3-pyridyl]-2-phenyl-propanamide (2R)-2-amino-N-[6-(dimethylamino…

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 4.81 -9.02 3 5 0 71 284.363 4 ↓
Mid Mid (pH 6-8) 1.93 5.07 -56.48 4 5 1 73 285.371 4 ↓
Lo Low (pH 4.5-6) 1.93 5.42 -104.63 5 5 2 74 286.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[6-(dimethylamino)-3-pyridyl]-2-phenyl-propanamide (2S)-2-amino-N-[6-(dimethylamino…

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 4.85 -10.07 3 5 0 71 284.363 4 ↓
Mid Mid (pH 6-8) 1.93 5.05 -55.79 4 5 1 73 285.371 4 ↓
Lo Low (pH 4.5-6) 1.93 5.41 -103.47 5 5 2 74 286.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-(2-ethoxy-3-pyridyl)-2-phenyl-propanamide (2R)-2-amino-N-(2-ethoxy-3-pyrid…

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) 2.04 2.72 -7.86 3 5 0 77 285.347 5 ↓
Mid Mid (pH 6-8) 2.04 2.96 -50.33 4 5 1 79 286.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-(2-ethoxy-3-pyridyl)-2-phenyl-propanamide (2S)-2-amino-N-(2-ethoxy-3-pyrid…

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) 2.04 2.65 -7.39 3 5 0 77 285.347 5 ↓
Mid Mid (pH 6-8) 2.04 2.99 -49.95 4 5 1 79 286.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[2-(dimethylamino)-3-pyridyl]-2-phenyl-propanamide (2R)-2-amino-N-[2-(dimethylamino…

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 4.9 -9.14 3 5 0 71 284.363 4 ↓
Mid Mid (pH 6-8) 1.71 5.16 -56.05 4 5 1 73 285.371 4 ↓
Lo Low (pH 4.5-6) 1.71 5.65 -99.85 5 5 2 74 286.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[2-(dimethylamino)-3-pyridyl]-2-phenyl-propanamide (2S)-2-amino-N-[2-(dimethylamino…

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 4.84 -8.22 3 5 0 71 284.363 4 ↓
Mid Mid (pH 6-8) 1.71 5.19 -55.82 4 5 1 73 285.371 4 ↓
Lo Low (pH 4.5-6) 1.71 5.68 -99.99 5 5 2 74 286.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-(2-methoxy-3-pyridyl)-2-phenyl-propanamide (2R)-2-amino-N-(2-methoxy-3-pyri…

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) 1.66 1.82 -8.29 3 5 0 77 271.32 4 ↓
Mid Mid (pH 6-8) 1.66 2.08 -51.6 4 5 1 79 272.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-(2-methoxy-3-pyridyl)-2-phenyl-propanamide (2S)-2-amino-N-(2-methoxy-3-pyri…

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) 1.66 1.72 -7.57 3 5 0 77 271.32 4 ↓
Mid Mid (pH 6-8) 1.66 2.05 -50.28 4 5 1 79 272.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-(3-pyridyl)acetamide 2-(3-aminophenyl)-N-(3-pyridyl)a…

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) 0.90 3.3 -11.01 3 4 0 68 227.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-(6-methoxy-3-pyridyl)acetamide 2-(3-aminophenyl)-N-(6-methoxy-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) 1.30 1.77 -11.75 3 5 0 77 257.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-(2-chloro-3-pyridyl)acetamide 2-(3-aminophenyl)-N-(2-chloro-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) 1.70 3.85 -9.78 3 4 0 68 261.712 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-(2-isopropoxy-3-pyridyl)acetamide 2-(3-aminophenyl)-N-(2-isopropox…

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) 1.82 3.75 -9.93 3 5 0 77 285.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methoxy-2-phenyl-N-(3-pyridyl)acetamide (2R)-2-methoxy-2-phenyl-N-(3-pyr…

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) 1.61 5.51 -11.36 1 4 0 51 242.278 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methoxy-2-phenyl-N-(3-pyridyl)acetamide (2S)-2-methoxy-2-phenyl-N-(3-pyr…

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) 1.61 5.48 -11.27 1 4 0 51 242.278 4 ↓

Analogs

365464
365464

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-3-pyridinyl)-2-(4-isobutylphenyl)propanamide N-(2-chloro-3-pyridinyl)-2-(4-is…

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) 4.75 9.19 -7.62 1 3 0 42 316.832 5 ↓

Analogs

365464
365464

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-3-pyridinyl)-2-(4-isobutylphenyl)propanamide N-(2-chloro-3-pyridinyl)-2-(4-is…

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) 4.75 9.21 -7.83 1 3 0 42 316.832 5 ↓

Analogs

31961501
31961501

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-(6-dimethylamino-3-pyridyl)acetamide 2-(3,4-dimethoxyphenyl)-N-(6-dim…

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 6.29 -17.54 1 6 0 64 315.373 6 ↓
Mid Mid (pH 6-8) 1.94 6.57 -44.24 2 6 1 65 316.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methoxy-N-[6-(2-methoxyethoxy)-3-pyridyl]-2-phenyl-acetamide (2S)-2-methoxy-N-[6-(2-methoxyet…

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) 1.90 4.15 -13.58 1 6 0 70 316.357 8 ↓

Analogs

34839749
34839749
37009316
37009316
37009317
37009317

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridyl)-acetamide 2-(3,4-dimethylphenyl)-N-(6-meth…

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) 3.07 5.11 -11.26 1 4 0 51 270.332 4 ↓
Lo Low (pH 4.5-6) 3.07 5.83 -37.48 2 4 1 52 271.34 4 ↓

Analogs

34839749
34839749
34840221
34840221
37009316
37009316
37009317
37009317
37872675
37872675

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-(6-methoxy-3-pyridyl)-acetamide 2-(4-methoxyphenyl)-N-(6-methoxy…

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 3.2 -12.9 1 5 0 60 272.304 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-6-fluoro-phenyl)-N-(6-methoxy-3-pyridyl)-acetamide 2-(2-chloro-6-fluoro-phenyl)-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) 2.99 4.35 -10.17 1 4 0 51 294.713 4 ↓
Lo Low (pH 4.5-6) 2.99 5.07 -35.21 2 4 1 52 295.721 4 ↓

Analogs

37009316
37009316
37009317
37009317

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-N-(6-methoxy-3-pyridyl)-acetamide 2-(4-chlorophenyl)-N-(6-methoxy-…

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) 2.93 4.41 -11.85 1 4 0 51 276.723 4 ↓
Lo Low (pH 4.5-6) 2.93 5.13 -39.4 2 4 1 52 277.731 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(4-fluorophenyl)acetyl]ami…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.56 6.04 -59.89 1 5 -1 82 273.243 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(2-methoxyphenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(2-methoxyphenyl)acetyl]am…

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) 1.41 5.33 -59.63 1 6 -1 91 285.279 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(4-bromophenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(4-bromophenyl)acetyl]amin…

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 6.6 -59.11 1 5 -1 82 334.149 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(2-fluorophenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(2-fluorophenyl)acetyl]ami…

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) 1.52 6.01 -59.2 1 5 -1 82 273.243 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(4-methoxyphenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(4-methoxyphenyl)acetyl]am…

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 5.27 -60.99 1 6 -1 91 285.279 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-phenylacetyl)amino]pyridine-3-carboxylic 5-[(2-phenylacetyl)amino]pyridin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 5.97 -58.99 1 5 -1 82 255.253 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(3-methoxyphenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(3-methoxyphenyl)acetyl]am…

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) 1.43 5.27 -61.73 1 6 -1 91 285.279 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-methyl-2-phenyl-propanoyl)amino]pyridine-3-carboxylic 5-[(2-methyl-2-phenyl-propanoyl)…

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) 2.37 6.86 -59.56 1 5 -1 82 283.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(3-fluorophenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(3-fluorophenyl)acetyl]ami…

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) 1.54 6.04 -60.66 1 5 -1 82 273.243 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(2-chlorophenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(2-chlorophenyl)acetyl]ami…

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) 2.03 6.41 -57.75 1 5 -1 82 289.698 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(o-tolyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(o-tolyl)acetyl]amino]pyri…

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) 1.80 6.47 -58.97 1 5 -1 82 269.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S)-2-phenylbutanoyl]amino]pyridine-3-carboxylic 5-[[(2S)-2-phenylbutanoyl]amino]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 7.17 -58.62 1 5 -1 82 283.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2R)-2-phenylbutanoyl]amino]pyridine-3-carboxylic 5-[[(2R)-2-phenylbutanoyl]amino]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 7.08 -45.78 1 5 -1 82 283.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(4-chlorophenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(4-chlorophenyl)acetyl]ami…

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 6.49 -59.11 1 5 -1 82 289.698 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(4-hydroxyphenyl)acetyl]am…

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) 0.92 3.12 -61.87 2 6 -1 102 271.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(2-chloro-6-fluoro-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) 2.15 6.42 -57.72 1 5 -1 82 307.688 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(p-tolyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(p-tolyl)acetyl]amino]pyri…

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) 1.85 6.65 -59.21 1 5 -1 82 269.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(3,4-dichlorophenyl)acetyl…

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 6.94 -60.33 1 5 -1 82 324.143 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(2,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(2,4-dichlorophenyl)acetyl…

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 6.89 -59.3 1 5 -1 82 324.143 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(2,6-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic 5-[[2-(2,6-dichlorophenyl)acetyl…

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 6.82 -56.72 1 5 -1 82 324.143 4 ↓

Parameters Provided:

ring.id = 30403
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 = 30403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30403&filter.purchasability=annotated

Embed Link to Results