UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-1-(3-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-methyl-N-[(1R)-1-(3-methyl-2-t…

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) 4.02 5.12 -9.15 1 3 0 38 272.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-methyl-N-[(1S)-1-(3-methyl-2-t…

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) 4.02 5.11 -9.12 1 3 0 38 272.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-N-[(1R)-1-(3-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-isopropyl-N-[(1R)-1-(3-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) 5.07 6.48 -8.53 1 3 0 38 300.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-isopropyl-N-[(1S)-1-(3-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) 5.07 6.47 -8.56 1 3 0 38 300.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-ethyl-N-[(1S)-1-(3-methyl-2-th…

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) 4.59 5.87 -8.69 1 3 0 38 286.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-[(1R)-1-(3-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-ethyl-N-[(1R)-1-(3-methyl-2-th…

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) 4.59 5.88 -8.71 1 3 0 38 286.4 4 ↓

Analogs

41203012
41203012
19231405
19231405
19231406
19231406

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-ethyl-2-thienyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine N-[(1R)-1-(5-ethyl-2-thienyl)eth…

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) 4.43 6.19 -9.01 1 3 0 38 286.4 4 ↓

Analogs

41203009
41203009
19231405
19231405
19231406
19231406

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-ethyl-2-thienyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine N-[(1S)-1-(5-ethyl-2-thienyl)eth…

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) 4.43 6.19 -9.01 1 3 0 38 286.4 4 ↓

Analogs

37786177
37786177
37786178
37786178

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-1,3-benzoxazol-5-amine 2-methyl-N-[(1R)-2-methyl-1-(2-t…

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) 4.39 5.94 -8.4 1 3 0 38 286.4 4 ↓

Analogs

37786177
37786177
37786178
37786178

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-1,3-benzoxazol-5-amine 2-methyl-N-[(1S)-2-methyl-1-(2-t…

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) 4.39 6 -8.59 1 3 0 38 286.4 4 ↓

Analogs

37786119
37786119
37786120
37786120

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-bromo-2-thienyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine N-[(1S)-1-(3-bromo-2-thienyl)eth…

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) 4.38 5.09 -8.43 1 3 0 38 337.242 3 ↓

Analogs

37786119
37786119
37786120
37786120

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-bromo-2-thienyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine N-[(1R)-1-(3-bromo-2-thienyl)eth…

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) 4.38 5.1 -8.41 1 3 0 38 337.242 3 ↓

Analogs

37786119
37786119
37786120
37786120
38003491
38003491
38003492
38003492

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-bromo-2-thienyl)ethyl]-2-isopropyl-1,3-benzoxazol-5-amine N-[(1S)-1-(3-bromo-2-thienyl)eth…

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) 5.44 6.46 -7.83 1 3 0 38 365.296 4 ↓

Analogs

37786119
37786119
37786120
37786120
38003491
38003491
38003492
38003492

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-bromo-2-thienyl)ethyl]-2-isopropyl-1,3-benzoxazol-5-amine N-[(1R)-1-(3-bromo-2-thienyl)eth…

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) 5.44 6.46 -7.85 1 3 0 38 365.296 4 ↓

Parameters Provided:

ring.id = 520193
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 = 520193 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=520193&filter.purchasability=annotated

Embed Link to Results