Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_345ucb0073mkjiaca104pi11f2, 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: ethyl 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) 5.22 13.63 -16.22 0 6 0 65 512.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 5.22 13.83 -15.06 0 6 0 65 512.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 5.22 13.9 -16.62 0 6 0 65 512.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 5.22 13.59 -14.52 0 6 0 65 512.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R,7aR)-4'-bromo-1'-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(phenoxymethyl)spiro[4,6,7,7a-tetrahydr (1R,3R,7aR)-4'-bromo-1'-[(2E)-3,…

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) 8.40 17.8 -11.77 0 4 0 39 562.548 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,7aR)-4'-bromo-1'-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(phenoxymethyl)spiro[4,6,7,7a-tetrahydr (1S,3R,7aR)-4'-bromo-1'-[(2E)-3,…

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) 8.40 18.01 -12.26 0 4 0 39 562.548 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R,7aS)-4'-bromo-1'-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(phenoxymethyl)spiro[4,6,7,7a-tetrahydr (1R,3R,7aS)-4'-bromo-1'-[(2E)-3,…

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) 8.40 18.06 -12.14 0 4 0 39 562.548 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,7aS)-4'-bromo-1'-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(phenoxymethyl)spiro[4,6,7,7a-tetrahydr (1S,3R,7aS)-4'-bromo-1'-[(2E)-3,…

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) 8.40 17.76 -11.35 0 4 0 39 562.548 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R,7aR)-4'-bromo-3-(phenoxymethyl)-1'-prop-2-ynyl-spiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c]pyra (1R,3R,7aR)-4'-bromo-3-(phenoxym…

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) 5.14 12.92 -11.98 0 4 0 39 464.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,7aR)-4'-bromo-3-(phenoxymethyl)-1'-prop-2-ynyl-spiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c]pyra (1S,3R,7aR)-4'-bromo-3-(phenoxym…

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) 5.14 13.12 -12.52 0 4 0 39 464.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R,7aS)-4'-bromo-3-(phenoxymethyl)-1'-prop-2-ynyl-spiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c]pyra (1R,3R,7aS)-4'-bromo-3-(phenoxym…

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) 5.14 13.19 -12.22 0 4 0 39 464.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,7aS)-4'-bromo-3-(phenoxymethyl)-1'-prop-2-ynyl-spiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c]pyra (1S,3R,7aS)-4'-bromo-3-(phenoxym…

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) 5.14 12.87 -11.8 0 4 0 39 464.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R,7aR)-4'-bromo-1'-(3-methylbut-2-enyl)-3-(phenoxymethyl)spiro[4,6,7,7a-tetrahydro-3H-cyclopent (1R,3R,7aR)-4'-bromo-1'-(3-methy…

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) 6.65 14.29 -11.54 0 4 0 39 494.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,7aR)-4'-bromo-1'-(3-methylbut-2-enyl)-3-(phenoxymethyl)spiro[4,6,7,7a-tetrahydro-3H-cyclopent (1S,3R,7aR)-4'-bromo-1'-(3-methy…

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) 6.65 14.49 -12.13 0 4 0 39 494.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R,7aS)-4'-bromo-1'-(3-methylbut-2-enyl)-3-(phenoxymethyl)spiro[4,6,7,7a-tetrahydro-3H-cyclopent (1R,3R,7aS)-4'-bromo-1'-(3-methy…

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) 6.65 14.56 -12.04 0 4 0 39 494.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,7aS)-4'-bromo-1'-(3-methylbut-2-enyl)-3-(phenoxymethyl)spiro[4,6,7,7a-tetrahydro-3H-cyclopent (1S,3R,7aS)-4'-bromo-1'-(3-methy…

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) 6.65 14.25 -11.34 0 4 0 39 494.429 5 ↓

Parameters Provided:

ring.id = 473882
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 = 473882 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=473882&filter.purchasability=annotated

Embed Link to Results