UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenoxy-propanamide N-(3-oxo-4H-1,4-benzoxazin-6-yl)…

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) 2.09 -2.37 -13.89 2 6 0 77 312.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenoxy-propanamide N-(4-methyl-3-oxo-1,4-benzoxazin…

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) 2.34 -0.71 -13.21 1 6 0 68 326.352 5 ↓

Analogs

12229852
12229852

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2S)-2,4-dimethyl-3-oxo-1,4-b…

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) 2.70 -0.58 -12.45 1 6 0 68 340.379 5 ↓

Analogs

12229847
12229847

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2R)-2,4-dimethyl-3-oxo-1,4-b…

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) 2.70 -0.48 -12.56 1 6 0 68 340.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenoxy-propanamide N-(4-ethyl-3-oxo-1,4-benzoxazin-…

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) 2.71 -0.47 -12.93 1 6 0 68 340.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-3-phenoxy-propanamide N-(3-oxo-4-propyl-1,4-benzoxazin…

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) 3.22 -0.4 -12.76 1 6 0 68 354.406 7 ↓

Analogs

12229897
12229897

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2S)-2-methyl-3-oxo-4H-1,4-be…

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 -2.18 -13.62 2 6 0 77 326.352 5 ↓

Analogs

12229893
12229893

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2R)-2-methyl-3-oxo-4H-1,4-be…

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 -2.13 -13.31 2 6 0 77 326.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenoxy-propanamide N-(4-allyl-3-oxo-1,4-benzoxazin-…

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) 2.98 -0.02 -12.41 1 6 0 68 352.39 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[4-(2-methylprop-2-enyl)-3-oxo…

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) 3.53 0.26 -12.72 1 6 0 68 366.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenoxy-propanamide N-(4-butyl-3-oxo-1,4-benzoxazin-…

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) 3.78 -0.28 -12.76 1 6 0 68 368.433 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-oxo-4-pentyl-1,4-benzoxazin-6-yl)-3-phenoxy-propanamide N-(3-oxo-4-pentyl-1,4-benzoxazin…

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) 4.28 -0.16 -12.73 1 6 0 68 382.46 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isobutyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenoxy-propanamide N-(4-isobutyl-3-oxo-1,4-benzoxaz…

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) 3.46 -0.21 -12.35 1 6 0 68 368.433 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropyl-3-oxo-1,4-benzoxazin-6-yl)-3-phenoxy-propanamide N-(4-isopropyl-3-oxo-1,4-benzoxa…

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) 3.01 -0.24 -12.26 1 6 0 68 354.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[4-(2-dimethylaminoethyl)-3-ox…

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) 2.37 0.05 -49.16 2 7 1 72 384.456 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3-dimethylaminopropyl)-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[4-(3-dimethylaminopropyl)-3-o…

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) 2.64 0.17 -48.12 2 7 1 72 398.483 9 ↓

Analogs

12230195
12230195

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2R)-4-ethyl-2-methyl-3-oxo-1…

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) 3.08 -0.24 -12.41 1 6 0 68 354.406 6 ↓

Analogs

12230188
12230188

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2S)-4-ethyl-2-methyl-3-oxo-1…

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) 3.08 -0.34 -12.43 1 6 0 68 354.406 6 ↓

Analogs

12230248
12230248

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2R)-2-methyl-3-oxo-4-propyl-…

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) 3.58 -0.18 -12.31 1 6 0 68 368.433 7 ↓

Analogs

12230245
12230245

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2S)-2-methyl-3-oxo-4-propyl-…

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) 3.58 -0.23 -12.72 1 6 0 68 368.433 7 ↓

Analogs

12230434
12230434

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2S)-4-allyl-2-methyl-3-oxo-1…

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) 3.35 0.15 -12.3 1 6 0 68 366.417 7 ↓

Analogs

12230429
12230429

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2R)-4-allyl-2-methyl-3-oxo-1…

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) 3.35 0.2 -11.99 1 6 0 68 366.417 7 ↓

Analogs

12230444
12230444

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2S)-2-methyl-4-(2-methylprop…

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) 3.89 0.44 -12.35 1 6 0 68 380.444 7 ↓

Analogs

12230440
12230440

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2R)-2-methyl-4-(2-methylprop…

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) 3.89 0.45 -12.25 1 6 0 68 380.444 7 ↓

Analogs

12230456
12230456

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2R)-4-butyl-2-methyl-3-oxo-1…

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) 4.14 -0.11 -12.16 1 6 0 68 382.46 8 ↓

Analogs

12230449
12230449

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2S)-4-butyl-2-methyl-3-oxo-1…

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) 4.14 -0.1 -12.66 1 6 0 68 382.46 8 ↓

Analogs

12230466
12230466

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2R)-2-methyl-3-oxo-4-pentyl-…

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) 4.64 0.01 -12.14 1 6 0 68 396.487 9 ↓

Analogs

12230461
12230461

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2S)-2-methyl-3-oxo-4-pentyl-…

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) 4.64 0.02 -12.51 1 6 0 68 396.487 9 ↓

Analogs

12230502
12230502

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2S)-4-(2-dimethylaminoethyl)…

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) 2.73 0.22 -48.83 2 7 1 72 398.483 8 ↓

Analogs

12230496
12230496

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3-phenoxy-propanamide N-[(2R)-4-(2-dimethylaminoethyl)…

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) 2.73 0.27 -48.72 2 7 1 72 398.483 8 ↓

Parameters Provided:

ring.id = 96363
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 = 96363 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=96363&filter.purchasability=annotated

Embed Link to Results