Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_lv45eggb7dkbmue1ofjbn27js1, 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-(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)isonipecotamide 1-(9-methoxy-5H-pyrimido[5,4-b]i…

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) 1.60 3.93 -18.94 3 7 0 97 325.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-4-piperidino-5H-pyrimido[5,4-b]indole 9-methyl-4-piperidino-5H-pyrimid…

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) 3.39 -2.44 -7.72 1 4 0 44 266.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)isonipecotamide 1-(7-methyl-5H-pyrimido[5,4-b]in…

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) 2.02 -5.34 -14.04 3 6 0 87 309.373 2 ↓

Analogs

540307
540307
13147215
13147215
534574
534574

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-9-methoxy-5H-pyrimido[5,4-b]indole 4-[(3R,5R)-3,5-dimethylpiperidin…

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) 3.72 8.63 -10.2 1 5 0 54 310.401 2 ↓

Analogs

13147215
13147215
534574
534574

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,5S)-3,5-dimethylpiperidino]-9-methoxy-5H-pyrimido[5,4-b]indole 4-[(3S,5S)-3,5-dimethylpiperidin…

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) 3.72 8.63 -10.14 1 5 0 54 310.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)isonipecot-ethyl-ester 1-(7-methyl-5H-pyrimido[5,4-b]in…

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) 3.52 -1.39 -10.46 1 6 0 71 338.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methoxy-4-piperidino-5H-pyrimido[5,4-b]indole 7-methoxy-4-piperidino-5H-pyrimi…

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) 3.03 -2.86 -7.49 1 5 0 54 282.347 2 ↓

Analogs

543369
543369
543371
543371
17748253
17748253
536688
536688
536689
536689

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,3-dimethylpiperidino)-8-ethoxy-5H-pyrimido[5,4-b]indole 4-(3,3-dimethylpiperidino)-8-eth…

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) 4.05 -1.62 -9.42 1 5 0 54 324.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-ethoxy-4-piperidino-5H-pyrimido[5,4-b]indole 8-ethoxy-4-piperidino-5H-pyrimid…

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) 3.40 -2.86 -9.59 1 5 0 54 296.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)isonipecotamide 1-(9-methyl-5H-pyrimido[5,4-b]in…

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) 1.99 -5.23 -14.14 3 6 0 87 309.373 2 ↓

Analogs

542888
542888
18183224
18183224
534745
534745
534747
534747

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,5S)-3,5-dimethylpiperidino]-9-methyl-5H-pyrimido[5,4-b]indole 4-[(3S,5S)-3,5-dimethylpiperidin…

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) 4.11 -1.3 -7.29 1 4 0 44 294.402 1 ↓

Analogs

18183224
18183224
534745
534745
534747
534747

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-9-methyl-5H-pyrimido[5,4-b]indole 4-[(3R,5R)-3,5-dimethylpiperidin…

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) 4.11 -1.3 -7.28 1 4 0 44 294.402 1 ↓

Parameters Provided:

ring.id = 221143
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 = 221143 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=221143&filter.purchasability=annotated

Embed Link to Results