UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36163766
36163766
37841375
37841375
37841376
37841376

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide N-methyl-N-[(3R)-tetrahydrothiop…

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) -0.14 3.27 -9.16 1 4 0 49 211.29 2 ↓

Analogs

37841375
37841375
37841376
37841376
36163764
36163764

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide N-methyl-N-[(3S)-tetrahydrothiop…

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) -0.14 3.3 -9.38 1 4 0 49 211.29 2 ↓

Analogs

36163831
36163831
37841383
37841383
37841384
37841384
37841393
37841393
37841394
37841394

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyl-N-[(3R)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-[(3R)-tetrahyd…

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) 0.30 4.67 -9.45 1 4 0 49 239.344 2 ↓

Analogs

37841383
37841383
37841384
37841384
37841393
37841393
37841394
37841394
37841395
37841395

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyl-N-[(3S)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-[(3S)-tetrahyd…

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) 0.30 4.66 -9.3 1 4 0 49 239.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide 5-amino-N-methyl-N-[(3R)-tetrahy…

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) -0.54 2.3 -11.26 3 5 0 75 226.305 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide 5-amino-N-methyl-N-[(3S)-tetrahy…

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) -0.54 2.34 -12.05 3 5 0 75 226.305 2 ↓

Analogs

36163766
36163766
36163764
36163764

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-[(3R)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide N-(2-methoxyethyl)-N-[(3R)-tetra…

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) -0.16 3.66 -12.44 1 5 0 58 255.343 5 ↓

Analogs

36163766
36163766
36163764
36163764

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-[(3S)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide N-(2-methoxyethyl)-N-[(3S)-tetra…

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) -0.16 3.66 -10.71 1 5 0 58 255.343 5 ↓

Analogs

36163831
36163831
36163828
36163828

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-3,5-dimethyl-N-[(3R)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide N-(2-methoxyethyl)-3,5-dimethyl-…

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) 0.29 4.5 -10.86 1 5 0 58 283.397 5 ↓

Analogs

36163831
36163831
36163828
36163828

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-3,5-dimethyl-N-[(3S)-tetrahydrothiophen-3-yl]-1H-pyrazole-4-carboxamide N-(2-methoxyethyl)-3,5-dimethyl-…

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) 0.29 4.37 -8.95 1 5 0 58 283.397 5 ↓

Parameters Provided:

ring.id = 80794
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 = 80794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=80794&filter.purchasability=annotated

Embed Link to Results