Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_9hhh75g2krte68li8i9cui1ee4, 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

45654164
45654164
45654167
45654167
23549799
23549799
23549794
23549794

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-methyl-4-piperidyl)-1H-indazol-7-amine N-(1-methyl-4-piperidyl)-1H-inda…

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) 2.52 5.15 -40.97 3 4 1 45 231.323 2 ↓

Analogs

45654164
45654164
45654167
45654167
23549794
23549794

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-isopropyl-4-piperidyl)-1H-indazol-7-amine N-(1-isopropyl-4-piperidyl)-1H-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) 3.20 6.34 -38.71 3 4 1 45 259.377 3 ↓

Analogs

45654164
45654164
45654167
45654167
23549794
23549794

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-ethyl-4-piperidyl)-1H-indazol-7-amine N-(1-ethyl-4-piperidyl)-1H-indaz…

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 5.81 -39.99 3 4 1 45 245.35 3 ↓

Analogs

45654164
45654164
45654167
45654167
23549794
23549794

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-propyl-4-piperidyl)-1H-indazol-7-amine N-(1-propyl-4-piperidyl)-1H-inda…

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 6.56 -40.75 3 4 1 45 259.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4S,5R)-1,2,5-trimethyl-4-piperidyl]-1H-indazol-7-amine N-[(2R,4S,5R)-1,2,5-trimethyl-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) 3.33 6.33 -39.18 3 4 1 45 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4S,5R)-1,2,5-trimethyl-4-piperidyl]-1H-indazol-7-amine N-[(2S,4S,5R)-1,2,5-trimethyl-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) 3.33 6.66 -38.64 3 4 1 45 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4R,5R)-1,2,5-trimethyl-4-piperidyl]-1H-indazol-7-amine N-[(2R,4R,5R)-1,2,5-trimethyl-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) 3.33 6.03 -39.86 3 4 1 45 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4R,5R)-1,2,5-trimethyl-4-piperidyl]-1H-indazol-7-amine N-[(2S,4R,5R)-1,2,5-trimethyl-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) 3.33 6.34 -39.73 3 4 1 45 259.377 2 ↓

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) 2.97 4.9 -10.49 2 6 0 70 288.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1H-indazol-7-ylamino)-1-piperidyl]ethanone 1-[4-(1H-indazol-7-ylamino)-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) 1.88 4.14 -12.49 2 5 0 61 258.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-prop-2-ynyl-4-piperidyl)-1H-indazol-7-amine N-(1-prop-2-ynyl-4-piperidyl)-1H…

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) 2.68 6.36 -42.32 3 4 1 45 255.345 3 ↓
Mid Mid (pH 6-8) 2.68 4.23 -8.71 2 4 0 44 254.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(3-methylbut-2-enyl)-4-piperidyl]-1H-indazol-7-amine N-[1-(3-methylbut-2-enyl)-4-pipe…

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) 4.20 7.81 -40.89 3 4 1 45 285.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1H-indazol-7-ylamino)piperidine-1-carboxamide 4-(1H-indazol-7-ylamino)piperidi…

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) 1.80 1.56 -13.05 4 6 0 87 259.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(2,2,2-trifluoroethyl)-4-piperidyl]-1H-indazol-7-amine N-[1-(2,2,2-trifluoroethyl)-4-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) 3.45 4.1 -7.33 2 4 0 44 298.312 4 ↓
Mid Mid (pH 6-8) 3.45 6.36 -45.97 3 4 1 45 299.32 4 ↓

Parameters Provided:

ring.id = 147115
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 = 147115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=147115&filter.purchasability=annotated

Embed Link to Results