UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methylpyrazol-4-yl)methyl]-5-nitro-furan-2-carboxamide N-[(1-methylpyrazol-4-yl)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) 0.25 3.14 -10.52 1 8 0 106 250.214 4 ↓

Analogs

37986557
37986557
37986824
37986824

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide 5-ethyl-N-[(1-methylpyrazol-4-yl…

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) 0.96 4.03 -9.95 1 5 0 60 233.271 4 ↓

Analogs

44317343
44317343
44317344
44317344
49401550
49401550
49401553
49401553
138493
138493

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-furamide 5-bromo-N-[(1R)-1-(1,3-dimethylp…

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) 1.88 -0.13 -8.88 1 5 0 60 312.167 3 ↓

Analogs

44317343
44317343
44317344
44317344
49401550
49401550
49401553
49401553
138493
138493

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-furamide 5-bromo-N-[(1S)-1-(1,3-dimethylp…

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) 1.88 4.5 -8.82 1 5 0 60 312.167 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethoxy-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide 5-ethoxy-N-[(1-ethyl-3,5-dimethy…

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) 1.77 8.34 -10.6 0 7 0 70 349.431 9 ↓
Lo Low (pH 4.5-6) 1.77 8.48 -32.46 1 7 1 71 350.439 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(diethylaminomethyl)-5-ethyl-N-isopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-carboxamid 4-(diethylaminomethyl)-5-ethyl-N…

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 11.14 -40.44 1 6 1 56 389.564 9 ↓
Hi High (pH 8-9.5) 2.80 9.36 -8.12 0 6 0 55 388.556 9 ↓
Lo Low (pH 4.5-6) 2.80 11.27 -71.79 2 6 2 57 390.572 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)furan-2-carboxamide N,5-dimethyl-N-(1H-pyrazol-4-ylm…

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) 0.56 4.13 -9.69 1 5 0 62 219.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,3-dimethyl-N-(1H-pyrazol-4-ylmethyl)furan-2-carboxamide N,3-dimethyl-N-(1H-pyrazol-4-ylm…

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) 0.72 3.99 -9.73 1 5 0 62 219.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)furan-2-carboxamide 5-chloro-N-methyl-N-(1H-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) 1.14 3.93 -10.31 1 5 0 62 239.662 3 ↓

Analogs

25048400
25048400

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide 5-bromo-N,3-dimethyl-N-[(1-methy…

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) 1.72 6.03 -10.78 0 5 0 51 312.167 3 ↓

Analogs

37986557
37986557
37986645
37986645
37986824
37986824

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide 5-methyl-N-[(1-methylpyrazol-4-y…

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) 0.39 3.25 -10.38 1 5 0 60 219.244 3 ↓

Analogs

37986823
37986823

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methylpyrazol-4-yl)methyl]-5-(methylsulfamoyl)furan-2-carboxamide N-[(1-methylpyrazol-4-yl)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) -0.48 -1.36 -15.32 2 8 0 106 298.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-2-carboxamide N-[(1R)-1-(1,3,5-trimethylpyrazo…

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) 1.17 4.28 -10.89 1 5 0 60 247.298 3 ↓
Lo Low (pH 4.5-6) 1.17 4.41 -34 2 5 1 61 248.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-2-carboxamide N-[(1S)-1-(1,3,5-trimethylpyrazo…

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) 1.17 4.31 -11.84 1 5 0 60 247.298 3 ↓
Lo Low (pH 4.5-6) 1.17 4.44 -33.95 2 5 1 61 248.306 3 ↓

Analogs

2782258
2782258
2782259
2782259

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-3-methyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-2-carboxamide 5-bromo-3-methyl-N-[(1S)-1-(1,3,…

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) 2.48 5.74 -8.24 1 5 0 60 340.221 3 ↓
Lo Low (pH 4.5-6) 2.48 5.87 -31.14 2 5 1 61 341.229 3 ↓

Analogs

2782258
2782258
2782259
2782259

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-3-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-2-carboxamide 5-bromo-3-methyl-N-[(1R)-1-(1,3,…

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) 2.48 5.82 -8.01 1 5 0 60 340.221 3 ↓
Lo Low (pH 4.5-6) 2.48 5.96 -31.18 2 5 1 61 341.229 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-2-carboxamide 3-methyl-N-[(1S)-1-(1,3,5-trimet…

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) 1.54 5.01 -10.62 1 5 0 60 261.325 3 ↓
Lo Low (pH 4.5-6) 1.54 5.14 -33.51 2 5 1 61 262.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-2-carboxamide 3-methyl-N-[(1R)-1-(1,3,5-trimet…

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) 1.54 5.1 -10.34 1 5 0 60 261.325 3 ↓
Lo Low (pH 4.5-6) 1.54 5.23 -33.5 2 5 1 61 262.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitro-furan-2-carboxamide N-ethyl-N-[(1-methylpyrazol-4-yl…

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) 0.87 6.27 -9.61 0 8 0 97 278.268 5 ↓

Parameters Provided:

ring.id = 56690
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 = 56690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=56690&filter.purchasability=annotated

Embed Link to Results