Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_87r92fqacf1rhjsmbrh6jlb3f5, 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: (1R,5R,6R)-N-[(1S)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[(1S)-1-(imidazol-1…

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) 2.98 10.79 -99.75 3 3 2 36 261.413 5 ↓
Mid Mid (pH 6-8) 2.98 10.27 -37.13 2 3 1 34 260.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6R)-N-[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[(1R)-1-(imidazol-1…

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) 2.98 10.07 -100.74 3 3 2 36 261.413 5 ↓
Mid Mid (pH 6-8) 2.98 9.56 -36.97 2 3 1 34 260.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[(1S)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[(1S)-1-(imidazol-1…

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) 2.98 10.31 -101.54 3 3 2 36 261.413 5 ↓
Mid Mid (pH 6-8) 2.98 9.8 -39.35 2 3 1 34 260.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[(1R)-1-(imidazol-1…

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) 2.98 10.28 -101.24 3 3 2 36 261.413 5 ↓
Mid Mid (pH 6-8) 2.98 9.77 -40.41 2 3 1 34 260.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6R)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[(1S)-2-imidazol-1-…

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) 1.62 8.48 -41.38 2 3 1 34 218.324 4 ↓
Lo Low (pH 4.5-6) 1.62 8.99 -98.51 3 3 2 36 219.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6R)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[(1R)-2-imidazol-1-…

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) 1.62 8.33 -40.75 2 3 1 34 218.324 4 ↓
Lo Low (pH 4.5-6) 1.62 8.84 -99.51 3 3 2 36 219.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[(1S)-2-imidazol-1-…

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) 1.62 8.32 -42.96 2 3 1 34 218.324 4 ↓
Lo Low (pH 4.5-6) 1.62 8.84 -101.78 3 3 2 36 219.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[(1R)-2-imidazol-1-…

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) 1.62 7.92 -43.8 2 3 1 34 218.324 4 ↓
Lo Low (pH 4.5-6) 1.62 8.43 -104.53 3 3 2 36 219.332 4 ↓

Parameters Provided:

ring.id = 564261
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 = 564261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=564261&filter.purchasability=annotated

Embed Link to Results