Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_665kacqshn6s8romargmaqlc32, 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

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-cyclopropyl-1-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazole-4-sulfonamide 3-amino-N-cyclopropyl-1-methyl-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) 0.09 1.54 -12.17 2 7 0 90 300.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-cyclopropyl-1-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazole-4-sulfonamide 3-amino-N-cyclopropyl-1-methyl-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) 0.09 0.85 -12.4 2 7 0 90 300.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-cyclopropyl-1-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazole-4-sulfonamide 3-amino-N-cyclopropyl-1-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) 0.46 2.41 -11.94 2 7 0 90 314.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-cyclopropyl-1-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazole-4-sulfonamide 3-amino-N-cyclopropyl-1-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) 0.46 1.72 -12.07 2 7 0 90 314.411 6 ↓

Analogs

37840973
37840973
37840974
37840974
37840975
37840975
37840978
37840978
37840979
37840979

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-sulfonamide N-cyclopropyl-N-[[(3S)-tetrahydr…

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) 0.41 0.51 -11.92 1 6 0 75 271.342 5 ↓

Analogs

37840974
37840974
37840975
37840975
37840978
37840978
37840979
37840979
37840972
37840972

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-sulfonamide N-cyclopropyl-N-[[(3R)-tetrahydr…

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) 0.41 1.38 -12.8 1 6 0 75 271.342 5 ↓

Analogs

21949971
21949971
35207481
35207481
35207480
35207480
37840973
37840973

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3,5-dimethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-sulfonamide N-cyclopropyl-3,5-dimethyl-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) 0.86 2.03 -10.89 1 6 0 75 299.396 5 ↓

Analogs

21949971
21949971
35207481
35207481
35207480
35207480
37840973
37840973

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3,5-dimethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-sulfonamide N-cyclopropyl-3,5-dimethyl-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) 0.86 2.84 -12.05 1 6 0 75 299.396 5 ↓

Analogs

37841008
37841008
37841009
37841009
35207481
35207481
37840972
37840972
37840973
37840973

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-sulfonamide N-cyclopropyl-5-methyl-N-[[(3S)-…

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) 0.63 1.58 -11.99 1 6 0 75 285.369 5 ↓

Analogs

37841008
37841008
37841009
37841009
35207481
35207481
37840972
37840972
37840973
37840973

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-sulfonamide N-cyclopropyl-5-methyl-N-[[(3R)-…

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) 0.63 1.69 -13.48 1 6 0 75 285.369 5 ↓

Parameters Provided:

ring.id = 18975
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 = 18975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18975&filter.purchasability=annotated

Embed Link to Results