Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_1qm19djsuobr3tqv6mog8ogcp2, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6828562
6828562

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-[3,5-bis(difluoromethyl)pyrazo…

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 0.41 -11.37 1 5 0 56 309.263 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromopyrazol-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]butyramide (2S)-2-(4-bromopyrazol-1-yl)-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) 1.47 3.91 -8.51 1 5 0 56 316.199 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromopyrazol-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]butyramide (2R)-2-(4-bromopyrazol-1-yl)-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) 1.47 3.92 -7.85 1 5 0 56 316.199 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromopyrazol-1-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]butyramide (2S)-2-(4-bromopyrazol-1-yl)-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) 1.47 3.85 -8.09 1 5 0 56 316.199 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromopyrazol-1-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]butyramide (2R)-2-(4-bromopyrazol-1-yl)-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) 1.47 3.84 -8.62 1 5 0 56 316.199 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-amino-3,5-dimethyl-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) -0.03 3.14 -14.62 2 6 0 73 266.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-amino-3,5-dimethyl-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) -0.03 3.49 -17.78 2 6 0 73 266.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-amino-3,5-dimethyl-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) 0.34 4.41 -16.65 2 6 0 73 280.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-amino-3,5-dimethyl-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) 0.34 4.09 -13.74 2 6 0 73 280.372 5 ↓

Analogs

19746041
19746041
19746042
19746042
36768842
36768842
36768843
36768843
35734256
35734256

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-aminopyrazol-1-yl)-N-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 2.38 -16.86 2 6 0 73 238.291 4 ↓

Analogs

19746041
19746041
19746042
19746042
36768842
36768842
36768843
36768843
35734256
35734256

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-aminopyrazol-1-yl)-N-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 2.08 -13.81 2 6 0 73 238.291 4 ↓

Analogs

19746041
19746041
19746042
19746042
36768842
36768842
36768843
36768843
35734256
35734256

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-aminopyrazol-1-yl)-N-ethyl-…

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) -0.10 3.3 -16.18 2 6 0 73 252.318 5 ↓

Analogs

19746041
19746041
19746042
19746042
36768842
36768842
36768843
36768843
35734256
35734256

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-aminopyrazol-1-yl)-N-ethyl-…

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) -0.10 3 -13.2 2 6 0 73 252.318 5 ↓

Parameters Provided:

ring.id = 59507
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 = 59507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=59507&filter.purchasability=annotated

Embed Link to Results