Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_5s6q8ni4r7f6difktvtn6eki84, 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-(6-methyl-3-pyridyl)tetralin-2-ol (2S)-2-(6-methyl-3-pyridyl)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) 2.46 6.22 -6.35 1 2 0 33 239.318 1 ↓
Mid Mid (pH 6-8) 2.46 6.65 -34.86 2 2 1 34 240.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(6-methyl-3-pyridyl)tetralin-2-ol (2R)-2-(6-methyl-3-pyridyl)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) 2.46 6.22 -6.33 1 2 0 33 239.318 1 ↓
Mid Mid (pH 6-8) 2.46 6.65 -34.85 2 2 1 34 240.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(6-methyl-3-pyridyl)tetralin-2-amine (2S)-2-(6-methyl-3-pyridyl)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) 2.51 6.61 -45.55 3 2 1 41 239.342 1 ↓
Mid Mid (pH 6-8) 2.51 6.34 -4.69 2 2 0 39 238.334 1 ↓
Mid Mid (pH 6-8) 2.51 6.77 -31.03 3 2 1 40 239.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(6-methyl-3-pyridyl)tetralin-2-amine (2R)-2-(6-methyl-3-pyridyl)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) 2.51 6.61 -45.49 3 2 1 41 239.342 1 ↓
Mid Mid (pH 6-8) 2.51 6.42 -5.03 2 2 0 39 238.334 1 ↓
Mid Mid (pH 6-8) 2.51 6.86 -33.48 3 2 1 40 239.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-amino-3-pyridyl)tetralin-2-ol (2R)-2-(2-amino-3-pyridyl)tetral…

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 5.23 -34.32 4 3 1 60 241.314 1 ↓
Hi High (pH 8-9.5) 2.18 4.76 -5.65 3 3 0 59 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-amino-3-pyridyl)tetralin-2-ol (2S)-2-(2-amino-3-pyridyl)tetral…

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 5.22 -34.32 4 3 1 60 241.314 1 ↓
Hi High (pH 8-9.5) 2.18 4.74 -5.69 3 3 0 59 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-amino-3-pyridyl)tetralin-2-ol (2R)-2-(4-amino-3-pyridyl)tetral…

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) 1.82 4.34 -34.66 4 3 1 60 241.314 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-amino-3-pyridyl)tetralin-2-ol (2S)-2-(4-amino-3-pyridyl)tetral…

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) 1.82 4.35 -34.75 4 3 1 60 241.314 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-amino-3-pyridyl)-6-bromo-tetralin-2-ol (2S)-2-(2-amino-3-pyridyl)-6-bro…

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 5.83 -36.31 4 3 1 60 320.21 1 ↓
Hi High (pH 8-9.5) 2.97 5.36 -5.79 3 3 0 59 319.202 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-amino-3-pyridyl)-6-bromo-tetralin-2-ol (2R)-2-(2-amino-3-pyridyl)-6-bro…

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 5.85 -36.25 4 3 1 60 320.21 1 ↓
Hi High (pH 8-9.5) 2.97 5.38 -5.7 3 3 0 59 319.202 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-amino-3-pyridyl)-6-bromo-tetralin-2-ol (2R)-2-(4-amino-3-pyridyl)-6-bro…

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) 2.61 4.97 -36.52 4 3 1 60 320.21 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-amino-3-pyridyl)-6-bromo-tetralin-2-ol (2S)-2-(4-amino-3-pyridyl)-6-bro…

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) 2.61 4.98 -36.68 4 3 1 60 320.21 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-fluoro-3-pyridyl)tetralin-2-amine (2R)-2-(5-fluoro-3-pyridyl)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) 2.76 6.07 -46.76 3 2 1 41 243.305 1 ↓
Mid Mid (pH 6-8) 2.76 5.88 -4.4 2 2 0 39 242.297 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-fluoro-3-pyridyl)tetralin-2-amine (2S)-2-(5-fluoro-3-pyridyl)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) 2.76 6.08 -46.79 3 2 1 41 243.305 1 ↓
Mid Mid (pH 6-8) 2.76 5.8 -3.84 2 2 0 39 242.297 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-fluoro-3-pyridyl)tetralin-2-ol (2R)-2-(5-fluoro-3-pyridyl)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) 2.72 5.68 -5.48 1 2 0 33 243.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-fluoro-3-pyridyl)tetralin-2-ol (2S)-2-(5-fluoro-3-pyridyl)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) 2.72 5.68 -5.51 1 2 0 33 243.281 1 ↓

Parameters Provided:

ring.id = 316410
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 = 316410 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=316410&filter.purchasability=annotated

Embed Link to Results