Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_brv2gl38v36p16c5j6c3mn4ks7, 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

41512862
41512862

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-4-methyl-2-[(E)-3-phenylprop-2-enylidene]-7-(1-piperidylmethyl)benzofuran-3-one (2Z)-6-hydroxy-4-methyl-2-[(E)-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) 4.97 11.68 -40.85 2 4 1 55 376.476 4 ↓
Mid Mid (pH 6-8) 4.97 12.25 -28.26 1 4 0 58 375.468 4 ↓

Analogs

41511484
41511484

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[(2S)-2-methyl-1-piperidyl]methyl]-2-[(E)-3-phenylprop-2-enylidene]benzof (2Z)-6-hydroxy-4-methyl-7-[[(2S)…

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) 5.30 11.85 -39.07 2 4 1 55 390.503 4 ↓
Mid Mid (pH 6-8) 5.30 12.61 -27.89 1 4 0 58 389.495 4 ↓

Analogs

41511480
41511480

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[(2R)-2-methyl-1-piperidyl]methyl]-2-[(E)-3-phenylprop-2-enylidene]benzof (2Z)-6-hydroxy-4-methyl-7-[[(2R)…

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) 5.30 12.16 -38.86 2 4 1 55 390.503 4 ↓
Mid Mid (pH 6-8) 5.30 12.73 -26.48 1 4 0 58 389.495 4 ↓

Analogs

41511705
41511705

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-7-[[(2R)-2-methyl-1-piperidyl]methyl]-2-[(E)-3-phenylprop-2-enylidene]benzofuran-3-on (2Z)-6-hydroxy-7-[[(2R)-2-methyl…

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) 4.92 11.21 -39.41 2 4 1 55 376.476 4 ↓
Mid Mid (pH 6-8) 4.92 11.98 -28.15 1 4 0 58 375.468 4 ↓

Analogs

41511701
41511701

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-7-[[(2S)-2-methyl-1-piperidyl]methyl]-2-[(E)-3-phenylprop-2-enylidene]benzofuran-3-on (2Z)-6-hydroxy-7-[[(2S)-2-methyl…

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) 4.92 11.52 -39.23 2 4 1 55 376.476 4 ↓
Mid Mid (pH 6-8) 4.92 12.1 -26.73 1 4 0 58 375.468 4 ↓

Analogs

41512275
41512275
41583672
41583672
41583673
41583673
41583674
41583674

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[(3S)-3-methyl-1-piperidyl]methyl]-2-[(E)-3-phenylprop-2-enylidene]benzof (2Z)-6-hydroxy-4-methyl-7-[[(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) 5.21 12.27 -41.03 2 4 1 55 390.503 4 ↓
Mid Mid (pH 6-8) 5.21 12.84 -27.41 1 4 0 58 389.495 4 ↓

Analogs

41583672
41583672
41583673
41583673
41583674
41583674
41512271
41512271

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[(3R)-3-methyl-1-piperidyl]methyl]-2-[(E)-3-phenylprop-2-enylidene]benzof (2Z)-6-hydroxy-4-methyl-7-[[(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) 5.21 11.96 -41.73 2 4 1 55 390.503 4 ↓
Mid Mid (pH 6-8) 5.21 12.72 -28.4 1 4 0 58 389.495 4 ↓

Analogs

41512503
41512503
41583795
41583795
41583796
41583796
41583797
41583797

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-7-[[(3R)-3-methyl-1-piperidyl]methyl]-2-[(E)-3-phenylprop-2-enylidene]benzofuran-3-on (2Z)-6-hydroxy-7-[[(3R)-3-methyl…

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) 4.84 11.63 -41.42 2 4 1 55 376.476 4 ↓
Mid Mid (pH 6-8) 4.84 12.21 -27.72 1 4 0 58 375.468 4 ↓

Analogs

41583795
41583795
41583796
41583796
41583797
41583797
41512499
41512499

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-7-[[(3S)-3-methyl-1-piperidyl]methyl]-2-[(E)-3-phenylprop-2-enylidene]benzofuran-3-on (2Z)-6-hydroxy-7-[[(3S)-3-methyl…

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) 4.84 11.32 -42.13 2 4 1 55 376.476 4 ↓
Mid Mid (pH 6-8) 4.84 12.08 -28.62 1 4 0 58 375.468 4 ↓

Analogs

41510964
41510964

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-4-methyl-7-[(4-methyl-1-piperidyl)methyl]-2-[(E)-3-phenylprop-2-enylidene]benzofuran- (2Z)-6-hydroxy-4-methyl-7-[(4-me…

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) 5.21 12.29 -41.77 2 4 1 55 390.503 4 ↓
Mid Mid (pH 6-8) 5.21 12.86 -28.24 1 4 0 58 389.495 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperidyl)methyl]-2-[(E)-3-phenylprop-2-enylidene]benzofuran-3-one (2Z)-6-hydroxy-7-[(4-methyl-1-pi…

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) 4.84 11.65 -42.18 2 4 1 55 376.476 4 ↓
Mid Mid (pH 6-8) 4.84 12.23 -28.56 1 4 0 58 375.468 4 ↓

Analogs

41583673
41583673
41583674
41583674
41512271
41512271
41512275
41512275

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-[(E)-3-phenylprop-2-enylidene (2Z)-7-[[(3S,5R)-3,5-dimethyl-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) 5.69 12.86 -41.06 2 4 1 55 404.53 4 ↓
Mid Mid (pH 6-8) 5.69 13.42 -27.62 1 4 0 58 403.522 4 ↓

Analogs

41583674
41583674
41583672
41583672
41512271
41512271
41512275
41512275

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-[(E)-3-phenylprop-2-enylidene (2Z)-7-[[(3S,5S)-3,5-dimethyl-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) 5.69 12.87 -40.8 2 4 1 55 404.53 4 ↓
Mid Mid (pH 6-8) 5.69 13.44 -26.99 1 4 0 58 403.522 4 ↓

Analogs

41583672
41583672
41583673
41583673
41512271
41512271
41512275
41512275

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-[(E)-3-phenylprop-2-enylidene (2Z)-7-[[(3R,5R)-3,5-dimethyl-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) 5.69 12.87 -40.69 2 4 1 55 404.53 4 ↓
Mid Mid (pH 6-8) 5.69 13.43 -27.58 1 4 0 58 403.522 4 ↓

Analogs

41583796
41583796
41583797
41583797
41512499
41512499
41512503
41512503

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]benzofur (2Z)-7-[[(3S,5R)-3,5-dimethyl-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) 5.31 11.91 -42.54 2 4 1 55 390.503 4 ↓
Mid Mid (pH 6-8) 5.31 12.67 -28.48 1 4 0 58 389.495 4 ↓

Analogs

41583797
41583797
41512499
41512499
41512503
41512503
41583795
41583795

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]benzofur (2Z)-7-[[(3S,5S)-3,5-dimethyl-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) 5.31 11.92 -41.75 2 4 1 55 390.503 4 ↓
Mid Mid (pH 6-8) 5.31 12.67 -28.73 1 4 0 58 389.495 4 ↓

Analogs

41583796
41583796
41512499
41512499
41512503
41512503
41583795
41583795

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]benzofur (2Z)-7-[[(3R,5R)-3,5-dimethyl-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) 5.31 11.92 -41.86 2 4 1 55 390.503 4 ↓
Mid Mid (pH 6-8) 5.31 12.67 -29.17 1 4 0 58 389.495 4 ↓

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) 5.08 13.23 -51.7 2 6 1 81 448.539 7 ↓
Hi High (pH 8-9.5) 5.08 10.94 -12.79 1 6 0 80 447.531 7 ↓
Mid Mid (pH 6-8) 5.08 13.81 -34.33 1 6 0 84 447.531 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) 4.70 12.28 -52.48 2 6 1 81 434.512 7 ↓
Hi High (pH 8-9.5) 4.70 10.8 -46.57 0 6 -1 83 432.496 7 ↓
Mid Mid (pH 6-8) 4.70 10.03 -12.01 1 6 0 80 433.504 7 ↓

Analogs

41586408
41586408

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) 5.08 13.2 -45.72 2 6 1 81 448.539 7 ↓
Hi High (pH 8-9.5) 5.08 11.51 -45.16 0 6 -1 83 446.523 7 ↓
Mid Mid (pH 6-8) 5.08 10.94 -11.76 1 6 0 80 447.531 7 ↓

Analogs

41586407
41586407

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) 5.08 12.89 -46.41 2 6 1 81 448.539 7 ↓
Hi High (pH 8-9.5) 5.08 11.42 -46.79 0 6 -1 83 446.523 7 ↓
Mid Mid (pH 6-8) 5.08 10.65 -11.01 1 6 0 80 447.531 7 ↓

Analogs

41586516
41586516

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) 4.70 12.56 -46.03 2 6 1 81 434.512 7 ↓
Hi High (pH 8-9.5) 4.70 10.88 -44.27 0 6 -1 83 432.496 7 ↓
Mid Mid (pH 6-8) 4.70 10.29 -11.88 1 6 0 80 433.504 7 ↓

Analogs

41586515
41586515

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) 4.70 12.25 -46.79 2 6 1 81 434.512 7 ↓
Hi High (pH 8-9.5) 4.70 10.78 -45.93 0 6 -1 83 432.496 7 ↓
Mid Mid (pH 6-8) 4.70 13 -31.12 1 6 0 84 433.504 7 ↓

Parameters Provided:

ring.id = 537547
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 = 537547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=537547&filter.purchasability=annotated

Embed Link to Results