Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_udln3k3m7d7f6fqqmu0h4o0q76, 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: (4-chlorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone (4-chlorophenyl)-(3,4-dihydro-2H…

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) 3.23 7.54 -9.58 0 3 0 33 272.735 1 ↓
Lo Low (pH 4.5-6) 3.23 7.8 -35.81 1 3 1 34 273.743 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(3,5-dimethoxyphenyl)methanone 3,4-dihydro-2H-1,5-naphthyridin-…

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) 2.59 5.64 -11.42 0 5 0 52 298.342 3 ↓
Lo Low (pH 4.5-6) 2.59 5.9 -36.14 1 5 1 53 299.35 3 ↓

Analogs

34532194
34532194

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(3-methyl-4-nitro-phenyl)methanone 3,4-dihydro-2H-1,5-naphthyridin-…

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) 2.89 8.31 -11.68 0 6 0 79 297.314 2 ↓
Lo Low (pH 4.5-6) 2.89 8.57 -41.04 1 6 1 80 298.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)benzonitrile 4-(3,4-dihydro-2H-1,5-naphthyrid…

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) 2.31 7.42 -12.35 0 4 0 57 263.3 1 ↓
Lo Low (pH 4.5-6) 2.31 7.68 -39.62 1 4 1 58 264.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(3-nitrophenyl)methanone 3,4-dihydro-2H-1,5-naphthyridin-…

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) 2.49 7.69 -17 0 6 0 79 283.287 2 ↓
Lo Low (pH 4.5-6) 2.49 7.95 -44.76 1 6 1 80 284.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-N,N-diethyl-benzenesulfonamide 2-chloro-5-(3,4-dihydro-2H-1,5-n…

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) 3.22 7.4 -16.04 0 6 0 71 407.923 5 ↓
Lo Low (pH 4.5-6) 3.22 7.66 -46.64 1 6 1 72 408.931 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[4-(methoxymethyl)phenyl]methanone 3,4-dihydro-2H-1,5-naphthyridin-…

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) 2.51 6.74 -11.64 0 4 0 42 282.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-N,N,2,3-tetramethyl-benzenesulfonamide 5-(3,4-dihydro-2H-1,5-naphthyrid…

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) 2.62 6.12 -19.03 0 6 0 71 373.478 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone (3,4-difluorophenyl)-(3,4-dihydr…

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) 2.81 7.15 -12.16 0 3 0 33 274.27 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(3-fluoro-4-methoxy-phenyl)methanone 3,4-dihydro-2H-1,5-naphthyridin-…

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) 2.70 6.43 -14.22 0 4 0 42 286.306 2 ↓
Lo Low (pH 4.5-6) 2.70 6.81 -43.61 1 4 1 44 287.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromo-4-methoxy-phenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone (3-bromo-4-methoxy-phenyl)-(3,4-…

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) 3.35 7.01 -13.1 0 4 0 42 347.212 2 ↓
Lo Low (pH 4.5-6) 3.35 7.4 -42.2 1 4 1 44 348.22 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)phenyl]methylurea [4-(3,4-dihydro-2H-1,5-naphthyri…

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) 1.39 3.18 -18.6 3 6 0 88 310.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 3.15 7.4 -14.29 1 6 0 72 367.449 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-chloro-4-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-6-methoxy-phenoxy]acetamide 2-[2-chloro-4-(3,4-dihydro-2H-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) 1.73 4.83 -19.55 2 7 0 95 375.812 5 ↓
Lo Low (pH 4.5-6) 1.73 5.21 -50.3 3 7 1 96 376.82 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(3,4,5-trimethoxyphenyl)methanone 3,4-dihydro-2H-1,5-naphthyridin-…

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) 2.18 6.18 -12.42 0 6 0 61 328.368 4 ↓
Lo Low (pH 4.5-6) 2.18 6.58 -40.95 1 6 1 62 329.376 4 ↓

Analogs

25461382
25461382

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[4-(trifluoromethyl)phenyl]methanone 3,4-dihydro-2H-1,5-naphthyridin-…

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) 3.45 8.04 -9.74 0 3 0 33 306.287 2 ↓

Parameters Provided:

ring.id = 104868
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 = 104868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=104868&filter.purchasability=annotated

Embed Link to Results