Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_hfh1ud4ol2cle4qu2nj43odh03, 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: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl (1,3-dimethyl-2,6-dioxo-pyrimidi…

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) 3.26 0.73 -15.1 0 7 0 83 393.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(11-carboxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)oxy]-7,8,9,10-tetrahydro-6H-cyclohe 2-[(11-carboxy-7,8,9,10-tetrahyd…

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) 7.06 13.01 -130.33 0 7 -2 115 494.547 4 ↓
Mid Mid (pH 6-8) 7.06 13.37 -125.97 1 7 -1 117 495.555 4 ↓
Lo Low (pH 4.5-6) 7.06 13.74 -128.09 2 7 0 118 496.563 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic-acid-(2-keto-2-morpholino-ethyl)-ester 7,8,9,10-tetrahydro-6H-cyclohept…

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) 3.10 -0.86 -14.21 0 6 0 68 368.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic-acid-[2-(azepan-1-yl)-2-keto-ethyl]-este 7,8,9,10-tetrahydro-6H-cyclohept…

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) 4.67 0.75 -13.45 0 5 0 59 380.488 4 ↓

Analogs

4601907
4601907
4601914
4601914

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic-acid-[2-(2-furfurylamino)-2-keto-ethyl]- 7,8,9,10-tetrahydro-6H-cyclohept…

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) 3.67 9.63 -13.94 1 6 0 81 378.428 6 ↓

Analogs

4601872
4601872
4601877
4601877
4601884
4601884

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic-acid-[2-(cyclopropylamino)-2-keto-ethyl] 7,8,9,10-tetrahydro-6H-cyclohept…

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) 3.38 -1.13 -13.74 1 5 0 68 338.407 5 ↓

Analogs

4601935
4601935
4601980
4601980

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic-acid-[2-(cyclopentylamino)-2-keto-ethyl] 7,8,9,10-tetrahydro-6H-cyclohept…

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) 4.41 -0.89 -13.72 1 5 0 68 366.461 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic-acid-[2-keto-2-(4-methylpiperidino)ethyl 7,8,9,10-tetrahydro-6H-cyclohept…

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) 4.40 0.6 -13.43 0 5 0 59 380.488 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic-acid-(2-keto-2-piperidino-ethyl)-ester 7,8,9,10-tetrahydro-6H-cyclohept…

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) 4.16 0.24 -13.57 0 5 0 59 366.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic-acid-[2-(allylamino)-2-keto-ethyl]-ester 7,8,9,10-tetrahydro-6H-cyclohept…

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) 3.65 -0.41 -13.47 1 5 0 68 338.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic-acid-[2-keto-2-(2-thenylamino)ethyl]-est 7,8,9,10-tetrahydro-6H-cyclohept…

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) 4.31 10.62 -13.06 1 5 0 68 394.496 6 ↓

Analogs

111588
111588

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic 2,4-difluoro-7,8,9,10-tetrahydro…

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) 2.90 8.49 -47.97 0 3 -1 53 276.262 1 ↓

Analogs

111588
111588

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic 4-fluoro-2-methyl-7,8,9,10-tetra…

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) 4.16 9.03 -52.15 0 3 -1 53 272.299 1 ↓

Analogs

206804
206804

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic 3-methoxy-7,8,9,10-tetrahydro-6H…

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) 3.68 7.61 -52.49 0 4 -1 62 270.308 2 ↓
Mid Mid (pH 6-8) 3.68 7.98 -43.65 1 4 0 63 271.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-difluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic 1,3-difluoro-7,8,9,10-tetrahydro…

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) 3.88 8.4 -52.49 0 3 -1 53 276.262 1 ↓
Lo Low (pH 4.5-6) 3.88 8.77 -51.55 1 3 0 54 277.27 1 ↓

Parameters Provided:

ring.id = 8275
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 = 8275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=8275&filter.purchasability=annotated

Embed Link to Results