UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzofuran-2-ylBLAHone benzofuran-2-ylBLAHone

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) 2.65 7.08 -13.11 1 5 0 60 323.377 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzofuran-2-ylBLAHone benzofuran-2-ylBLAHone

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) 2.65 7.42 -18.11 1 5 0 60 323.377 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-imidazol-1-ylphenyl)BLAHone (4-imidazol-1-ylphenyl)BLAHone

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) 1.42 8.77 -15.75 1 6 0 64 349.419 2 ↓
Lo Low (pH 4.5-6) 1.42 9.28 -45.68 2 6 1 65 350.427 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-imidazol-1-ylphenyl)BLAHone (4-imidazol-1-ylphenyl)BLAHone

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) 1.42 8.79 -15.74 1 6 0 64 349.419 2 ↓
Lo Low (pH 4.5-6) 1.42 9.3 -45.7 2 6 1 65 350.427 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-allyl-4-allyloxy-phenyl)BLAHone (3-allyl-4-allyloxy-phenyl)BLAHone

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) 3.54 9.26 -11.63 1 5 0 56 379.485 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-allyl-4-allyloxy-phenyl)BLAHone (3-allyl-4-allyloxy-phenyl)BLAHone

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) 3.54 9.26 -11.62 1 5 0 56 379.485 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-cyclopropyl-1-methyl-pyrazol-4-yl)BLAHone (5-cyclopropyl-1-methyl-pyrazol-…

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) 1.05 5.93 -13.18 1 6 0 64 327.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-cyclopropyl-1-methyl-pyrazol-4-yl)BLAHone (5-cyclopropyl-1-methyl-pyrazol-…

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) 1.05 6.01 -13.24 1 6 0 64 327.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)BLAHone (3,4-dimethylphenyl)BLAHone

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) 2.92 7.63 -11.04 1 4 0 46 311.41 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)BLAHone (3,4-dimethylphenyl)BLAHone

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) 2.92 7.63 -11.01 1 4 0 46 311.41 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(oxoBLAHyl)methyl]-1,3-benzoxazol-2-one 3-[(oxoBLAHyl)methyl]-1,3-benzox…

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 6.64 -19.33 1 7 0 82 354.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(oxoBLAHyl)methyl]-1,3-benzoxazol-2-one 3-[(oxoBLAHyl)methyl]-1,3-benzox…

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 6.72 -20.28 1 7 0 82 354.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(propylamino)pyrimidin-5-yl]BLAHone [2-(propylamino)pyrimidin-5-yl]B…

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 6.42 -12.56 2 7 0 84 342.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(propylamino)pyrimidin-5-yl]BLAHone [2-(propylamino)pyrimidin-5-yl]B…

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 6.43 -12.57 2 7 0 84 342.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-ethyl-2-furyl)BLAHone (5-ethyl-2-furyl)BLAHone

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) 2.14 6.29 -11.85 1 5 0 60 301.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-ethyl-2-furyl)BLAHone (5-ethyl-2-furyl)BLAHone

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) 2.14 6.58 -15.25 1 5 0 60 301.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,2-difluoro-1,3-benzodioxol-5-yl)BLAHone (2,2-difluoro-1,3-benzodioxol-5-…

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) 2.61 5.5 -12.85 1 6 0 65 363.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,2-difluoro-1,3-benzodioxol-5-yl)BLAHone (2,2-difluoro-1,3-benzodioxol-5-…

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) 2.61 5.5 -12.82 1 6 0 65 363.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-4-pyrazol-1-yl-phenyl)BLAHone (2-methyl-4-pyrazol-1-yl-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) 2.40 8.12 -14.18 1 6 0 64 363.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-4-pyrazol-1-yl-phenyl)BLAHone (2-methyl-4-pyrazol-1-yl-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) 2.40 8.16 -14.19 1 6 0 64 363.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-tert-butyl-1H-pyrazol-3-yl)BLAHone (5-tert-butyl-1H-pyrazol-3-yl)BL…

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 5.51 -12.34 2 6 0 75 329.429 2 ↓

Parameters Provided:

ring.id = 397380
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 = 397380 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=397380&filter.purchasability=annotated

Embed Link to Results