Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_2gc9cbt3v47ndfqi8c499tssv1, 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: (5S)-5-phenyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (5S)-5-phenyl-N-[(1S)-1-(2-thien…

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) 4.34 8.99 -27.73 2 2 1 26 303.476 5 ↓
Hi High (pH 8-9.5) 4.34 8.9 -7.04 1 2 0 24 302.468 4 ↓
Hi High (pH 8-9.5) 4.34 9.61 -28.25 2 2 1 26 303.476 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-phenyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (5S)-5-phenyl-N-[(1R)-1-(2-thien…

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) 4.34 8.99 -27.6 2 2 1 26 303.476 5 ↓
Hi High (pH 8-9.5) 4.34 8.9 -7.3 1 2 0 24 302.468 4 ↓
Hi High (pH 8-9.5) 4.34 9.71 -27.57 2 2 1 26 303.476 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-phenyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (5R)-5-phenyl-N-[(1S)-1-(2-thien…

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) 4.34 8.99 -27.61 2 2 1 26 303.476 5 ↓
Hi High (pH 8-9.5) 4.34 9.78 -27.71 2 2 1 26 303.476 4 ↓
Hi High (pH 8-9.5) 4.34 8.9 -7.28 1 2 0 24 302.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-phenyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (5R)-5-phenyl-N-[(1R)-1-(2-thien…

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) 4.34 8.99 -27.76 2 2 1 26 303.476 5 ↓
Hi High (pH 8-9.5) 4.34 8.9 -7.05 1 2 0 24 302.468 4 ↓
Hi High (pH 8-9.5) 4.34 9.75 -28.3 2 2 1 26 303.476 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-phenyl-N-[(1S)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (5S)-5-phenyl-N-[(1S)-1-(2-thien…

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) 4.90 10.52 -28.63 2 2 1 26 317.503 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-phenyl-N-[(1R)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (5S)-5-phenyl-N-[(1R)-1-(2-thien…

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) 4.90 10.52 -28.35 2 2 1 26 317.503 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-phenyl-N-[(1S)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (5R)-5-phenyl-N-[(1S)-1-(2-thien…

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) 4.90 10.52 -28.34 2 2 1 26 317.503 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-phenyl-N-[(1R)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (5R)-5-phenyl-N-[(1R)-1-(2-thien…

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) 4.90 10.52 -28.64 2 2 1 26 317.503 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-2-methyl-1-(2-thien…

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) 4.58 9.42 -27.78 2 2 1 26 317.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-2-methyl-1-(2-thien…

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) 4.58 9.42 -27.54 2 2 1 26 317.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-2-methyl-1-(2-thien…

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) 4.58 9.42 -27.51 2 2 1 26 317.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-2-methyl-1-(2-thien…

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) 4.58 9.43 -27.81 2 2 1 26 317.503 5 ↓

Parameters Provided:

ring.id = 580163
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 = 580163 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=580163&filter.purchasability=annotated

Embed Link to Results