UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7S)-1-(2,5-dimethoxyphenyl)-7-(…

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) 3.03 5.83 -73.7 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.85 8.39 -62.78 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.03 6.91 -53.15 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7R)-1-(2,5-dimethoxyphenyl)-7-(…

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) 3.03 5.8 -73.12 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.85 8.44 -65.13 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.03 6.88 -53.99 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyrid (7S)-7-(4-hydroxy-3,5-dimethoxy-…

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 6.7 -64.12 2 9 -1 122 437.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyrid (7R)-7-(4-hydroxy-3,5-dimethoxy-…

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 6.4 -62.8 2 9 -1 122 437.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,5-dimethoxyphenyl)-7-(3-hydroxy-4-methoxy-phenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyrid (7S)-1-(2,5-dimethoxyphenyl)-7-(…

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) 2.73 3.72 -70.21 2 9 -1 126 437.428 6 ↓
Ref Reference (pH 7) 2.54 6.38 -62.63 2 9 -1 122 437.428 6 ↓
Lo Low (pH 4.5-6) 2.73 4.79 -50.78 3 9 0 127 438.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,5-dimethoxyphenyl)-7-(3-hydroxy-4-methoxy-phenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyrid (7R)-1-(2,5-dimethoxyphenyl)-7-(…

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) 2.73 3.73 -72.3 2 9 -1 126 437.428 6 ↓
Ref Reference (pH 7) 2.54 6.37 -64.01 2 9 -1 122 437.428 6 ↓
Lo Low (pH 4.5-6) 2.73 4.81 -53.7 3 9 0 127 438.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(2,5-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7S)-1-(2,4-dimethoxyphenyl)-7-(…

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) 3.22 5.33 -73.47 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 3.03 7.97 -65.79 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.22 6.4 -47.82 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(2,5-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7R)-1-(2,4-dimethoxyphenyl)-7-(…

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) 3.22 5.3 -73.13 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 3.03 7.95 -65.71 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.22 6.38 -47.58 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-1-(2,4-dimethoxyphenyl)-7-(…

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) 3.23 5.64 -70.41 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.05 8.31 -63.46 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.23 6.71 -49.34 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7R)-1-(2,4-dimethoxyphenyl)-7-(…

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) 3.23 5.92 -69.9 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.05 8.57 -62.69 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.23 6.99 -49.02 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,5-dimethoxyphenyl)-7-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-1-(2,5-dimethoxyphenyl)-7-(…

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) 3.42 5.72 -68.94 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.23 8.41 -61.25 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.42 6.8 -47.78 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,5-dimethoxyphenyl)-7-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7R)-1-(2,5-dimethoxyphenyl)-7-(…

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) 3.42 5.9 -70.68 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.23 8.55 -62.57 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.42 6.97 -49.81 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(3-methoxyphenyl)-7-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxyli (7S)-1-(3-methoxyphenyl)-7-(4-me…

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) 3.22 6.35 -72.22 1 7 -1 96 391.403 5 ↓
Ref Reference (pH 7) 3.04 9.01 -64.9 1 7 -1 93 391.403 5 ↓
Lo Low (pH 4.5-6) 3.22 7.42 -54.37 2 7 0 98 392.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(3-methoxyphenyl)-7-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxyli (7R)-1-(3-methoxyphenyl)-7-(4-me…

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) 3.22 6.12 -71.15 1 7 -1 96 391.403 5 ↓
Ref Reference (pH 7) 3.04 8.76 -63.81 1 7 -1 93 391.403 5 ↓
Lo Low (pH 4.5-6) 3.22 7.19 -51.61 2 7 0 98 392.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(3-hydroxy-4-methoxy-phenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyrid (7S)-1-(2,4-dimethoxyphenyl)-7-(…

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) 2.51 3.74 -67.3 2 9 -1 126 437.428 6 ↓
Ref Reference (pH 7) 2.33 6.38 -60.12 2 9 -1 122 437.428 6 ↓
Lo Low (pH 4.5-6) 2.51 4.81 -49.14 3 9 0 127 438.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(3-hydroxy-4-methoxy-phenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyrid (7R)-1-(2,4-dimethoxyphenyl)-7-(…

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) 2.51 3.75 -68.38 2 9 -1 126 437.428 6 ↓
Ref Reference (pH 7) 2.33 6.39 -60.58 2 9 -1 122 437.428 6 ↓
Lo Low (pH 4.5-6) 2.51 4.83 -50.68 3 9 0 127 438.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-1-(2,4-dimethoxyphenyl)-7-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 6.02 -68.61 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.00 8.65 -60.75 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.18 7.08 -45.5 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7R)-1-(2,4-dimethoxyphenyl)-7-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 6.02 -68.8 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.00 8.65 -61 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.18 7.1 -46 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(3-methoxyphenyl)-5-oxo-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-ca (7S)-1-(3-methoxyphenyl)-5-oxo-7…

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) 2.80 6.16 -71.76 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.61 8.81 -64.46 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 2.80 7.24 -58.47 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(3-methoxyphenyl)-5-oxo-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-ca (7R)-1-(3-methoxyphenyl)-5-oxo-7…

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) 2.80 5.89 -70.38 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.61 8.51 -62.73 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 2.80 6.97 -55.51 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(4-methoxycarbonylphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine (7S)-1-(2,4-dimethoxyphenyl)-7-(…

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) 3.35 6.97 -72.34 1 9 -1 122 449.439 7 ↓
Ref Reference (pH 7) 3.16 9.61 -65.47 1 9 -1 119 449.439 7 ↓
Lo Low (pH 4.5-6) 3.35 8.04 -53.55 2 9 0 124 450.447 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(4-methoxycarbonylphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine (7R)-1-(2,4-dimethoxyphenyl)-7-(…

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) 3.35 7.27 -71.58 1 9 -1 122 449.439 7 ↓
Ref Reference (pH 7) 3.16 9.91 -64.39 1 9 -1 119 449.439 7 ↓
Lo Low (pH 4.5-6) 3.35 8.34 -52.99 2 9 0 124 450.447 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2,5-dimethoxyphenyl)-1-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-7-(2,5-dimethoxyphenyl)-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) 3.21 5.71 -74.02 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.02 8.36 -66.34 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.21 6.79 -51.22 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,5-dimethoxyphenyl)-1-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7R)-7-(2,5-dimethoxyphenyl)-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) 3.21 5.59 -73.42 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.02 8.22 -65.77 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.21 6.67 -49.11 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyrid (7S)-1-(2,4-dimethoxyphenyl)-7-(…

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) 2.51 3.78 -68.96 2 9 -1 126 437.428 6 ↓
Ref Reference (pH 7) 2.33 6.43 -61.74 2 9 -1 122 437.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyrid (7R)-1-(2,4-dimethoxyphenyl)-7-(…

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) 2.51 3.75 -69.54 2 9 -1 126 437.428 6 ↓
Ref Reference (pH 7) 2.33 6.39 -61.85 2 9 -1 122 437.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-1-(2,4-dimethoxyphenyl)-7-(…

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) 2.70 3.49 -69.13 2 8 -1 116 407.402 5 ↓
Ref Reference (pH 7) 2.51 6.13 -62.29 2 8 -1 113 407.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7R)-1-(2,4-dimethoxyphenyl)-7-(…

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) 2.70 3.77 -69.45 2 8 -1 116 407.402 5 ↓
Ref Reference (pH 7) 2.51 6.41 -61.76 2 8 -1 113 407.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-7-(3,4-dimethoxyphenyl)-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) 2.63 8.88 -63.92 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 2.81 7.31 -56.32 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7R)-7-(3,4-dimethoxyphenyl)-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) 2.63 8.58 -61.72 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 2.81 7.04 -52.62 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2,4-dimethoxyphenyl)-1-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-7-(2,4-dimethoxyphenyl)-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) 3.21 5.72 -69.18 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.02 8.38 -61.24 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.21 6.79 -50.88 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,4-dimethoxyphenyl)-1-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7R)-7-(2,4-dimethoxyphenyl)-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) 3.21 5.59 -68.02 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.02 8.23 -60.13 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.21 6.67 -48.25 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2,3-dimethoxyphenyl)-1-(2,5-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7S)-7-(2,3-dimethoxyphenyl)-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) 3.21 5.87 -68.6 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 3.02 8.58 -60.38 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.21 6.95 -47.76 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,3-dimethoxyphenyl)-1-(2,5-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7R)-7-(2,3-dimethoxyphenyl)-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) 3.21 5.53 -70.65 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 3.02 8.16 -62.45 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.21 6.6 -48.61 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,5-dimethoxyphenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-1-(2,5-dimethoxyphenyl)-7-(…

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) 2.88 3.73 -70.26 2 8 -1 116 407.402 5 ↓
Ref Reference (pH 7) 2.70 6.39 -62.61 2 8 -1 113 407.402 5 ↓
Lo Low (pH 4.5-6) 2.88 4.8 -49.54 3 8 0 118 408.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,5-dimethoxyphenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7R)-1-(2,5-dimethoxyphenyl)-7-(…

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) 2.88 3.75 -71.65 2 8 -1 116 407.402 5 ↓
Ref Reference (pH 7) 2.70 6.38 -63.33 2 8 -1 113 407.402 5 ↓
Lo Low (pH 4.5-6) 2.88 4.83 -51.86 3 8 0 118 408.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1,7-bis(2,5-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic (7S)-1,7-bis(2,5-dimethoxyphenyl…

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) 3.43 5.31 -77.21 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 3.24 7.95 -69.09 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.43 6.38 -50.67 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1,7-bis(2,5-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic (7R)-1,7-bis(2,5-dimethoxyphenyl…

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) 3.43 5.28 -76.89 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 3.24 7.94 -69.08 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.43 6.36 -50.39 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,5-dimethoxyphenyl)-7-(4-methoxycarbonylphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine (7S)-1-(2,5-dimethoxyphenyl)-7-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 6.96 -75.77 1 9 -1 122 449.439 7 ↓
Ref Reference (pH 7) 3.37 9.6 -68.51 1 9 -1 119 449.439 7 ↓
Lo Low (pH 4.5-6) 3.56 8.03 -55.6 2 9 0 124 450.447 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,5-dimethoxyphenyl)-7-(4-methoxycarbonylphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine (7R)-1-(2,5-dimethoxyphenyl)-7-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 7.24 -75.45 1 9 -1 122 449.439 7 ↓
Ref Reference (pH 7) 3.37 9.88 -67.83 1 9 -1 119 449.439 7 ↓
Lo Low (pH 4.5-6) 3.56 8.32 -56.04 2 9 0 124 450.447 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(3-methoxyphenyl)-5-oxo-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-ca (7S)-1-(3-methoxyphenyl)-5-oxo-7…

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) 2.80 5.64 -72.29 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.61 8.29 -64.44 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 2.80 6.71 -54.2 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(3-methoxyphenyl)-5-oxo-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-ca (7R)-1-(3-methoxyphenyl)-5-oxo-7…

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) 2.80 5.51 -71.32 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.61 8.13 -63.58 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 2.80 6.59 -51.67 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-1-(2,4-dimethoxyphenyl)-7-(…

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) 3.21 5.73 -66.59 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.02 8.41 -59.22 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.21 6.82 -46.72 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7R)-1-(2,4-dimethoxyphenyl)-7-(…

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) 3.21 5.92 -67.25 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.02 8.57 -59.58 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.21 6.98 -47.28 2 8 0 107 422.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(3-methoxyphenyl)-5-oxo-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-ca (7S)-1-(3-methoxyphenyl)-5-oxo-7…

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) 3.00 6.32 -68.45 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.81 8.97 -60.35 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.00 7.39 -53.8 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(3-methoxyphenyl)-5-oxo-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-ca (7R)-1-(3-methoxyphenyl)-5-oxo-7…

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) 3.00 5.97 -65 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.81 8.54 -57.27 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.00 7.04 -46.55 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7S)-1-(2,4-dimethoxyphenyl)-7-(…

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 5.85 -70.35 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.64 8.49 -60.58 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 2.82 6.92 -51.13 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7R)-1-(2,4-dimethoxyphenyl)-7-(…

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 5.82 -68.95 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.64 8.46 -61.38 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 2.82 6.9 -50.65 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2,3-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7S)-7-(2,3-dimethoxyphenyl)-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) 3.00 5.9 -66.62 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.81 8.58 -58.86 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.00 6.97 -47.1 2 9 0 116 452.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,3-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-c (7R)-7-(2,3-dimethoxyphenyl)-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) 3.00 5.56 -67 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.81 8.17 -59.27 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 3.00 6.63 -45.9 2 9 0 116 452.463 7 ↓

Parameters Provided:

ring.id = 582202
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 = 582202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=582202&filter.purchasability=annotated

Embed Link to Results