Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_o06caer770hvm7vt669ilpctv5, 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: 1-[4-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]-N-met 1-[4-[[(4aS,7aS)-3,4a,5,6,7,7a-h…

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) 0.93 2.56 -40.81 2 4 1 42 268.406 4 ↓
Hi High (pH 8-9.5) 0.93 1.11 -5.77 1 4 0 37 267.398 4 ↓
Mid Mid (pH 6-8) 0.93 4.83 -91.13 3 4 2 43 269.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]-N-met 1-[4-[[(4aS,7aR)-3,4a,5,6,7,7a-h…

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) 0.93 2.45 -39.56 2 4 1 42 268.406 4 ↓
Hi High (pH 8-9.5) 0.93 1 -5.64 1 4 0 37 267.398 4 ↓
Mid Mid (pH 6-8) 0.93 4.52 -91.56 3 4 2 43 269.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-…

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) 1.30 3.42 -39.84 2 4 1 42 282.433 5 ↓
Hi High (pH 8-9.5) 1.30 2.05 -5.56 1 4 0 37 281.425 5 ↓
Mid Mid (pH 6-8) 1.30 5.69 -90.66 3 4 2 43 283.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-…

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) 1.30 3.31 -38.68 2 4 1 42 282.433 5 ↓
Hi High (pH 8-9.5) 1.30 1.93 -5.46 1 4 0 37 281.425 5 ↓
Mid Mid (pH 6-8) 1.30 5.4 -91.1 3 4 2 43 283.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-…

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) 1.81 4.17 -40.7 2 4 1 42 296.46 6 ↓
Hi High (pH 8-9.5) 1.81 2.81 -5.37 1 4 0 37 295.452 6 ↓
Mid Mid (pH 6-8) 1.81 6.44 -92.31 3 4 2 43 297.468 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-…

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) 1.81 4.05 -39.49 2 4 1 42 296.46 6 ↓
Hi High (pH 8-9.5) 1.81 2.69 -5.3 1 4 0 37 295.452 6 ↓
Mid Mid (pH 6-8) 1.81 6.16 -92.63 3 4 2 43 297.468 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-…

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) 1.60 3.95 -38.23 2 4 1 42 296.46 5 ↓
Hi High (pH 8-9.5) 1.60 2.72 -5.45 1 4 0 37 295.452 5 ↓
Mid Mid (pH 6-8) 1.60 6.22 -89.69 3 4 2 43 297.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-…

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) 1.60 3.83 -37.15 2 4 1 42 296.46 5 ↓
Hi High (pH 8-9.5) 1.60 2.6 -5.36 1 4 0 37 295.452 5 ↓
Mid Mid (pH 6-8) 1.60 5.94 -90.04 3 4 2 43 297.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-…

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) 2.12 4.38 -36.1 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 2.12 3.12 -5.27 1 4 0 37 309.479 5 ↓
Mid Mid (pH 6-8) 2.12 6.65 -88.32 3 4 2 43 311.495 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-…

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) 2.12 4.26 -34.98 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 2.12 3.01 -5.15 1 4 0 37 309.479 5 ↓
Mid Mid (pH 6-8) 2.12 6.35 -88.71 3 4 2 43 311.495 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aS)-3,4a,5,6,7,7a-…

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) 2.05 4.86 -40.44 2 4 1 42 310.487 6 ↓
Hi High (pH 8-9.5) 2.05 3.49 -5.29 1 4 0 37 309.479 6 ↓
Mid Mid (pH 6-8) 2.05 7.14 -92.79 3 4 2 43 311.495 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methy N-[[4-[[(4aS,7aR)-3,4a,5,6,7,7a-…

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) 2.05 4.75 -39.22 2 4 1 42 310.487 6 ↓
Hi High (pH 8-9.5) 2.05 3.38 -5.18 1 4 0 37 309.479 6 ↓
Mid Mid (pH 6-8) 2.05 6.85 -93.15 3 4 2 43 311.495 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methanam [4-[[(4aS,7aS)-3,4a,5,6,7,7a-hex…

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) 0.56 0.69 -46.46 3 4 1 53 254.379 3 ↓
Mid Mid (pH 6-8) 0.56 2.96 -96.45 4 4 2 54 255.387 3 ↓
Mid Mid (pH 6-8) 0.56 0.28 -6.24 2 4 0 51 253.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methanam [4-[[(4aS,7aR)-3,4a,5,6,7,7a-hex…

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) 0.56 0.57 -45.12 3 4 1 53 254.379 3 ↓
Mid Mid (pH 6-8) 0.56 2.67 -96.81 4 4 2 54 255.387 3 ↓
Mid Mid (pH 6-8) 0.56 0.16 -6.08 2 4 0 51 253.371 3 ↓

Parameters Provided:

ring.id = 253372
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 = 253372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=253372&filter.purchasability=annotated

Embed Link to Results