Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_jcf1tbuig7o3mu1ql4ba9rs817, 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: (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2S,6R)-2,6-dimethylmorp…

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) -0.38 2.22 -51.79 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.38 1.76 -6.64 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2S,6S)-2,6-dimethylmorp…

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) -0.38 2.51 -52.54 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.38 2.04 -6.04 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2R,6R)-2,6-dimethylmorp…

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) -0.38 2.51 -52.23 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.38 2.04 -6.13 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2R,5R)-2,5-dimethylmorp…

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) -0.42 1.89 -44.55 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.42 1.09 -5.14 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2S,5R)-2,5-dimethylmorp…

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) -0.42 2.03 -51.66 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.42 1.68 -4.97 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2R)-2-ethylmorpholin-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) -0.25 2.32 -51.03 3 5 1 66 237.327 4 ↓
Hi High (pH 8-9.5) -0.25 1.85 -6.35 2 5 0 64 236.319 4 ↓
Lo Low (pH 4.5-6) -0.25 4.2 -123.24 4 5 2 67 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2S)-2-ethylmorpholin-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) -0.25 2.28 -44.26 3 5 1 66 237.327 4 ↓
Hi High (pH 8-9.5) -0.25 1.83 -6.36 2 5 0 64 236.319 4 ↓
Lo Low (pH 4.5-6) -0.25 4.21 -122.31 4 5 2 67 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,2-dimethylmorpholin-4-yl)-2-pyrimidin-4-yl-ethanamine (2S)-2-(2,2-dimethylmorpholin-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) -0.30 2.38 -45.08 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.30 1.92 -6.22 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,2-dimethylmorpholin-4-yl)-2-pyrimidin-4-yl-ethanamine (2R)-2-(2,2-dimethylmorpholin-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) -0.30 2.01 -51.69 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.30 1.75 -4.83 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3R)-3-ethylmorpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(3R)-3-ethylmorpholin-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) -0.25 1.91 -51.75 3 5 1 66 237.327 4 ↓
Hi High (pH 8-9.5) -0.25 1.2 -5.76 2 5 0 64 236.319 4 ↓
Lo Low (pH 4.5-6) -0.25 3.85 -129.91 4 5 2 67 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3S)-3-ethylmorpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(3S)-3-ethylmorpholin-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) -0.25 1.56 -50.61 3 5 1 66 237.327 4 ↓
Hi High (pH 8-9.5) -0.25 1.46 -6.17 2 5 0 64 236.319 4 ↓
Lo Low (pH 4.5-6) -0.25 3.64 -120.37 4 5 2 67 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2R,5R)-5-ethyl-2-methyl…

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) 0.12 2.92 -52.77 3 5 1 66 251.354 4 ↓
Hi High (pH 8-9.5) 0.12 2.21 -5.42 2 5 0 64 250.346 4 ↓
Lo Low (pH 4.5-6) 0.12 4.56 -129.36 4 5 2 67 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2R,5S)-5-ethyl-2-methyl…

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) 0.12 2.31 -50.84 3 5 1 66 251.354 4 ↓
Hi High (pH 8-9.5) 0.12 2.21 -6.31 2 5 0 64 250.346 4 ↓
Lo Low (pH 4.5-6) 0.12 4.39 -121.01 4 5 2 67 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2S,5R)-5-ethyl-2-methyl…

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) 0.12 2.65 -52.21 3 5 1 66 251.354 4 ↓
Hi High (pH 8-9.5) 0.12 1.95 -5.84 2 5 0 64 250.346 4 ↓
Lo Low (pH 4.5-6) 0.12 4.61 -131.28 4 5 2 67 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-pyrimidin-4-yl-ethanamine (2S)-2-[(2S,5S)-5-ethyl-2-methyl…

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) 0.12 2.57 -50.53 3 5 1 66 251.354 4 ↓
Hi High (pH 8-9.5) 0.12 2.47 -5.68 2 5 0 64 250.346 4 ↓
Lo Low (pH 4.5-6) 0.12 4.37 -121.2 4 5 2 67 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-2-pyrimidin-4-yl-ethanamine (2S)-2-(3,3-dimethylmorpholin-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) -0.30 1.16 -53.58 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.30 1.19 -5.29 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-2-pyrimidin-4-yl-ethanamine (2R)-2-(3,3-dimethylmorpholin-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) -0.30 1.01 -53.8 3 5 1 66 237.327 3 ↓
Hi High (pH 8-9.5) -0.30 0.65 -4.73 2 5 0 64 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-pyrimidin-4-yl-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanamine (2S)-2-pyrimidin-4-yl-2-[(6R)-2,…

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) 0.06 3.11 -45.49 3 5 1 66 251.354 3 ↓
Hi High (pH 8-9.5) 0.06 2.31 -4.9 2 5 0 64 250.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-pyrimidin-4-yl-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanamine (2S)-2-pyrimidin-4-yl-2-[(6S)-2,…

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) 0.06 2.76 -51.68 3 5 1 66 251.354 3 ↓
Hi High (pH 8-9.5) 0.06 2.52 -4.77 2 5 0 64 250.346 3 ↓

Parameters Provided:

ring.id = 521419
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 = 521419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=521419&filter.purchasability=annotated

Embed Link to Results