UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34820710
34820710
34820712
34820712
34821253
34821253
34821255
34821255

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-phenyl-2,3,4,5-tetrahydro…

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) 3.15 -0.14 -35.85 2 2 1 26 226.299 1 ↓

Analogs

34820710
34820710
34820712
34820712
34821253
34821253
34821255
34821255

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-phenyl-2,3,4,5-tetrahydro…

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) 3.15 -0.15 -35.8 2 2 1 26 226.299 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(o-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(o-tolyl)-2,3,4,5-tetrahy…

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) 3.55 0.19 -35.59 2 2 1 26 240.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(o-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(o-tolyl)-2,3,4,5-tetrahy…

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) 3.55 0.24 -35.67 2 2 1 26 240.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(m-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(m-tolyl)-2,3,4,5-tetrahy…

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) 3.57 0.18 -35.88 2 2 1 26 240.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(m-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(m-tolyl)-2,3,4,5-tetrahy…

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) 3.57 0.18 -35.81 2 2 1 26 240.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(p-tolyl)-2,3,4,5-tetrahy…

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) 3.59 0.18 -35.87 2 2 1 26 240.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(p-tolyl)-2,3,4,5-tetrahy…

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) 3.59 0.17 -35.88 2 2 1 26 240.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(2-fluorophenyl)-2,3,4,5-…

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) 3.26 0.6 -36.84 2 2 1 26 244.289 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(2-fluorophenyl)-2,3,4,5-…

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) 3.26 0.59 -37.12 2 2 1 26 244.289 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(3-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(3-fluorophenyl)-2,3,4,5-…

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) 3.28 0.59 -39.1 2 2 1 26 244.289 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(3-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(3-fluorophenyl)-2,3,4,5-…

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) 3.28 0.59 -39 2 2 1 26 244.289 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(4-fluorophenyl)-2,3,4,5-…

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) 3.31 0.6 -40.9 2 2 1 26 244.289 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(4-fluorophenyl)-2,3,4,5-…

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) 3.31 0.6 -40.9 2 2 1 26 244.289 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(2-chlorophenyl)-2,3,4,5-…

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 -0.21 -35.96 2 2 1 26 260.744 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(2-chlorophenyl)-2,3,4,5-…

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 -0.21 -36.21 2 2 1 26 260.744 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(3-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(3-chlorophenyl)-2,3,4,5-…

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) 3.80 -0.29 -38.29 2 2 1 26 260.744 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(3-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(3-chlorophenyl)-2,3,4,5-…

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) 3.80 -0.29 -38.17 2 2 1 26 260.744 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(4-chlorophenyl)-2,3,4,5-…

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) 3.82 -0.29 -40 2 2 1 26 260.744 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(4-chlorophenyl)-2,3,4,5-…

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) 3.82 -0.28 -40.04 2 2 1 26 260.744 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(2-methoxyphenyl)-2,3,4,5…

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) 3.15 0.13 -34.82 2 3 1 35 256.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(2-methoxyphenyl)-2,3,4,5…

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) 3.15 0.17 -34.96 2 3 1 35 256.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(3-methoxyphenyl)-2,3,4,5…

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) 3.18 -0.13 -37.28 2 3 1 35 256.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(3-methoxyphenyl)-2,3,4,5…

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) 3.18 -0.13 -37.31 2 3 1 35 256.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5S)-5-(4-methoxyphenyl)-2,3,4,5…

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 -0.12 -38.9 2 3 1 35 256.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (5R)-5-(4-methoxyphenyl)-2,3,4,5…

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 -0.13 -38.88 2 3 1 35 256.325 2 ↓

Parameters Provided:

ring.id = 43789
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 = 43789 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=43789&filter.purchasability=annotated

Embed Link to Results