UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)amino]-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxam N-[2-[(1-benzyl-3,5-dimethyl-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) 2.36 7.28 -17.87 2 8 0 94 405.458 6 ↓

Analogs

40767977
40767977
40767979
40767979

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1-benzylpyrazol-4-yl)amino]-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-[(1-benzylpyrazol-4-yl)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) 1.92 6.2 -18.36 2 8 0 94 377.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[[1-(o-tolylmethyl)pyrazol-4-yl]amino]-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-[[1-(o-tolylmethyl…

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) 2.32 6.87 -17.92 2 8 0 94 391.431 6 ↓

Analogs

40767973
40767973

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[[1-(m-tolylmethyl)pyrazol-4-yl]amino]-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-[[1-(m-tolylmethyl…

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) 2.35 6.87 -18.37 2 8 0 94 391.431 6 ↓

Analogs

40767973
40767973

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-oxo-2-[[1-(p-tolylmethyl)pyrazol-4-yl]amino]ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-oxo-2-[[1-(p-tolyl…

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 6.88 -18.45 2 8 0 94 391.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carb N-[2-[[1-[(2-fluorophenyl)methyl…

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 6.23 -21.14 2 8 0 94 395.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carb N-[2-[[1-[(3-fluorophenyl)methyl…

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) 2.06 6.27 -20.76 2 8 0 94 395.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carb N-[2-[[1-[(4-fluorophenyl)methyl…

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) 2.09 6.27 -19.64 2 8 0 94 395.394 6 ↓

Parameters Provided:

ring.id = 517008
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 = 517008 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=517008&filter.purchasability=annotated

Embed Link to Results