UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-[(2S)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-[(2S)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 3.13 -9.09 0 4 0 48 309.163 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-[(2S)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-[(2S)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 3.12 -9.4 0 4 0 48 309.163 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-[(2R)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-[(2R)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 3.14 -9.95 0 4 0 48 309.163 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-[(2R)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-[(2R)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 3.13 -9.67 0 4 0 48 309.163 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-[(2S)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-[(2S)-2,3-dihydrobenzo…

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) -1.01 -0.12 -48.42 3 5 1 76 246.29 3 ↓
Hi High (pH 8-9.5) -1.01 -0.47 -9.53 2 5 0 74 245.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-[(2S)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-[(2S)-2,3-dihydrobenzo…

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) -1.01 -0.13 -47.4 3 5 1 76 246.29 3 ↓
Hi High (pH 8-9.5) -1.01 -0.45 -8.39 2 5 0 74 245.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-[(2R)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-[(2R)-2,3-dihydrobenzo…

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) -1.01 -0.11 -47.46 3 5 1 76 246.29 3 ↓
Hi High (pH 8-9.5) -1.01 -0.46 -10.29 2 5 0 74 245.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-[(2R)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-[(2R)-2,3-dihydrobenzo…

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) -1.01 -0.12 -48.46 3 5 1 76 246.29 3 ↓
Hi High (pH 8-9.5) -1.01 -0.43 -8.95 2 5 0 74 245.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(2R)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]propanoic 3-[5-[(2R)-2,3-dihydrobenzofuran…

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) 0.32 2.49 -45.45 0 6 -1 88 259.241 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(2S)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]propanoic 3-[5-[(2S)-2,3-dihydrobenzofuran…

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) 0.32 2.52 -46.5 0 6 -1 88 259.241 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(2R)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]butanoic 4-[5-[(2R)-2,3-dihydrobenzofuran…

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) 0.59 3.27 -50.78 0 6 -1 88 273.268 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(2S)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]butanoic 4-[5-[(2S)-2,3-dihydrobenzofuran…

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) 0.59 3.3 -52.79 0 6 -1 88 273.268 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[(2R)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-[(2R)-2,3-dihydrobenzofuran…

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) 1.10 4.05 -49.69 0 6 -1 88 287.295 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[(2S)-2,3-dihydrobenzofuran-2-yl]-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-[(2S)-2,3-dihydrobenzofuran…

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) 1.10 4.08 -50.55 0 6 -1 88 287.295 6 ↓

Parameters Provided:

ring.id = 220247
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 = 220247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=220247&filter.purchasability=annotated

Embed Link to Results