Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_5vkvjk2656i7fa3gp5hnet8501, 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: 6-[[(1R)-1-(2-pyridyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1R)-1-(2-pyridyl)ethyl]amin…

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) 1.61 3.48 -9.2 2 5 0 63 269.304 3 ↓
Lo Low (pH 4.5-6) 1.61 3.88 -43.64 3 5 1 64 270.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(2-pyridyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1S)-1-(2-pyridyl)ethyl]amin…

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) 1.61 3.48 -9.14 2 5 0 63 269.304 3 ↓
Lo Low (pH 4.5-6) 1.61 3.89 -43.65 3 5 1 64 270.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-pyridylmethylamino)-4H-1,4-benzoxazin-3-one 6-(2-pyridylmethylamino)-4H-1,4-…

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) 1.05 2.46 -9.85 2 5 0 63 255.277 3 ↓
Lo Low (pH 4.5-6) 1.05 2.84 -43.92 3 5 1 64 256.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-6-[[(1S)-1-(2-pyridyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1S)-1-(2-pyri…

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) 1.97 4.24 -8.5 2 5 0 63 283.331 3 ↓
Lo Low (pH 4.5-6) 1.97 4.41 -40.92 3 5 1 64 284.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-[[(1S)-1-(2-pyridyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1S)-1-(2-pyri…

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) 1.97 4.13 -8.72 2 5 0 63 283.331 3 ↓
Lo Low (pH 4.5-6) 1.97 4.31 -41.16 3 5 1 64 284.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-6-[[(1R)-1-(2-pyridyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1R)-1-(2-pyri…

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) 1.97 4.24 -8.52 2 5 0 63 283.331 3 ↓
Lo Low (pH 4.5-6) 1.97 4.41 -40.81 3 5 1 64 284.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-[[(1R)-1-(2-pyridyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1R)-1-(2-pyri…

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) 1.97 4.13 -8.68 2 5 0 63 283.331 3 ↓
Lo Low (pH 4.5-6) 1.97 4.31 -40.98 3 5 1 64 284.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-6-(2-pyridylmethylamino)-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-(2-pyridylmethyl…

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) 1.41 3.25 -8.58 2 5 0 63 269.304 3 ↓
Lo Low (pH 4.5-6) 1.41 3.66 -40.92 3 5 1 64 270.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-(2-pyridylmethylamino)-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-(2-pyridylmethyl…

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) 1.41 3.15 -8.85 2 5 0 63 269.304 3 ↓
Lo Low (pH 4.5-6) 1.41 3.56 -41.12 3 5 1 64 270.312 3 ↓

Parameters Provided:

ring.id = 24411
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 = 24411 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=24411&filter.purchasability=annotated

Embed Link to Results