UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21788895
21788895
21804762
21804762
21804765
21804765

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(4-chloro-3-fluoro-anilino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1S)-1-(4-chloro-3-fluoro-ani…

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) 3.63 5.22 -11.57 3 4 0 61 305.74 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(4-chloro-3-fluoro-anilino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1R)-1-(4-chloro-3-fluoro-ani…

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) 3.63 5.21 -11.58 3 4 0 61 305.74 3 ↓

Analogs

37091064
37091064

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(5-bromo-2-methyl-anilino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1S)-1-(5-bromo-2-methyl-anil…

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) 4.05 6.06 -9.58 3 4 0 61 346.228 3 ↓

Analogs

21807644
21807644
37091063
37091063

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(5-bromo-2-methyl-anilino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1R)-1-(5-bromo-2-methyl-anil…

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) 4.05 6.06 -9.61 3 4 0 61 346.228 3 ↓

Analogs

37105151
37105151
21804762
21804762
21804765
21804765

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(2-chloro-4-iodo-anilino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1S)-1-(2-chloro-4-iodo-anili…

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) 4.55 6.33 -9.24 3 4 0 61 413.646 3 ↓

Analogs

37105150
37105150

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(2-chloro-4-iodo-anilino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1R)-1-(2-chloro-4-iodo-anili…

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) 4.55 6.33 -9.24 3 4 0 61 413.646 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Chloro-3-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylmethyl)-amino]-benzoic acid 4-Chloro-3-[(1,3-dimethyl-2-oxo-…

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) 2.96 8.23 -52.24 1 6 -1 79 344.778 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylmethyl)-amino]-2-methyl-benzoic acid 3-[(1,3-Dimethyl-2-oxo-2,3-dihyd…

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 8.3 -59.59 1 6 -1 79 324.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylmethyl)-amino]-4-methyl-benzoic acid 3-[(1,3-Dimethyl-2-oxo-2,3-dihyd…

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 8.41 -58.71 1 6 -1 79 324.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloro-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylmethyl)-amino]-benzoic acid 2-Chloro-4-[(1,3-dimethyl-2-oxo-…

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) 2.62 8.02 -59.14 1 6 -1 79 344.778 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(3-fluoro-4-hydroxy-anilino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1S)-1-(3-fluoro-4-hydroxy-an…

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) 2.74 1.85 -12.82 4 5 0 81 287.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(3-fluoro-4-hydroxy-anilino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1R)-1-(3-fluoro-4-hydroxy-an…

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) 2.74 1.85 -12.82 4 5 0 81 287.294 3 ↓

Parameters Provided:

ring.id = 84841
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 = 84841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=84841&filter.purchasability=annotated

Embed Link to Results