Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_3krbv89hc7aq6pqcc5iudnovc2, 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-(2-chloroprop-2-enyl)-6,7-dimethoxy-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2 1-(2-chloroprop-2-enyl)-6,7-dime…

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) 1.98 1.15 -51.49 2 7 1 75 431.944 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-allyl-3-methyl-pyrazol-4-yl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one 3-[[(1-allyl-3-methyl-pyrazol-4-…

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) 1.43 7.13 -52.17 3 5 1 67 327.383 6 ↓
Mid Mid (pH 6-8) 1.43 5.76 -13.26 2 5 0 63 326.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]methyl]-6-methoxy-1H-quinolin-2-one 3-[[(1,3-dimethylpyrazol-4-yl)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) 0.92 6.71 -43.36 2 6 1 64 327.408 5 ↓
Mid Mid (pH 6-8) 0.92 4.44 -13.23 1 6 0 63 326.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1,5-dimethylpyrazol-4-yl)methyl-methyl-amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one 3-[[(1,5-dimethylpyrazol-4-yl)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) 0.51 6.59 -48.88 2 7 1 74 357.434 6 ↓
Mid Mid (pH 6-8) 0.51 4.32 -16.55 1 7 0 72 356.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one 7-methyl-3-[[methyl-[(1-methylpy…

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) 1.09 7.5 -42.46 2 5 1 55 297.382 4 ↓
Mid Mid (pH 6-8) 1.09 5.16 -12.64 1 5 0 54 296.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-hydroxyethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one 3-[[2-hydroxyethyl-[(1-methylpyr…

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) 0.44 4.97 -37.74 3 6 1 75 327.408 6 ↓
Mid Mid (pH 6-8) 0.44 3.16 -16.48 2 6 0 74 326.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-isopropylpyrazol-4-yl)methyl-methyl-amino]methyl]-7-methyl-1H-quinolin-2-one 3-[[(1-isopropylpyrazol-4-yl)met…

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) 1.83 8.89 -41.63 2 5 1 55 325.436 5 ↓
Mid Mid (pH 6-8) 1.83 6.54 -12.16 1 5 0 54 324.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-amino]methyl]-7-methyl-1H-quinolin-2-one 3-[[(1-ethyl-3-methyl-pyrazol-4-…

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) 1.69 8.92 -42.6 2 5 1 55 325.436 5 ↓
Mid Mid (pH 6-8) 1.69 6.66 -12.74 1 5 0 54 324.428 5 ↓

Parameters Provided:

ring.id = 86255
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 = 86255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=86255&filter.purchasability=annotated

Embed Link to Results