UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 2-methyl-4-[(4-methyl-1,2,5-oxad…

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 2.94 -10.25 2 5 0 74 219.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 4-fluoro-2-[(4-methyl-1,2,5-oxad…

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) 2.08 2.36 -9.56 2 5 0 74 223.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 5-chloro-2-[(4-methyl-1,2,5-oxad…

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) 2.60 2.81 -9.79 2 5 0 74 239.662 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 4-methyl-2-[(4-methyl-1,2,5-oxad…

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 2.96 -9.21 2 5 0 74 219.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 3-chloro-4-[(4-methyl-1,2,5-oxad…

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) 2.19 2.72 -11.93 2 5 0 74 239.662 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 3-fluoro-4-[(4-methyl-1,2,5-oxad…

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) 1.68 2.24 -13.12 2 5 0 74 223.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 2-methyl-3-[(4-methyl-1,2,5-oxad…

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 3.03 -10.07 2 5 0 74 219.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 2-methyl-6-[(4-methyl-1,2,5-oxad…

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 3.06 -9.34 2 5 0 74 219.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 4-methyl-3-[(4-methyl-1,2,5-oxad…

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) 1.96 2.93 -10.05 2 5 0 74 219.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 5-methyl-2-[(4-methyl-1,2,5-oxad…

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 2.96 -9.33 2 5 0 74 219.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 2-fluoro-4-[(4-methyl-1,2,5-oxad…

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) 2.08 2.25 -11.96 2 5 0 74 223.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 2-chloro-4-[(4-methyl-1,2,5-oxad…

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) 2.60 2.74 -11.12 2 5 0 74 239.662 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 4-chloro-2-[(4-methyl-1,2,5-oxad…

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) 2.60 2.81 -9.03 2 5 0 74 239.662 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 5-fluoro-2-[(4-methyl-1,2,5-oxad…

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) 2.08 2.36 -10.39 2 5 0 74 223.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline 4-chloro-3-[(4-methyl-1,2,5-oxad…

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) 2.19 2.73 -11.87 2 5 0 74 239.662 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanamine [4-[(4-methyl-1,2,5-oxadiazol-3-…

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) 1.69 2.34 -55.79 3 5 1 76 220.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanamine [2-[(4-methyl-1,2,5-oxadiazol-3-…

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) 1.64 2.4 -45.57 3 5 1 76 220.252 4 ↓
Hi High (pH 8-9.5) 1.64 1.98 -10.4 2 5 0 74 219.244 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanamine [3-[(4-methyl-1,2,5-oxadiazol-3-…

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) 1.67 2.34 -53.07 3 5 1 76 220.252 4 ↓
Hi High (pH 8-9.5) 1.67 1.94 -10.39 2 5 0 74 219.244 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzaldehyde 3-[(4-methyl-1,2,5-oxadiazol-3-y…

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) 2.27 4.02 -13.47 0 5 0 65 218.212 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanol [4-[(4-methyl-1,2,5-oxadiazol-3-…

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) 1.85 1.63 -11.49 1 5 0 68 220.228 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanol [3-[(4-methyl-1,2,5-oxadiazol-3-…

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 1.63 -12 1 5 0 68 220.228 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanol [2-[(4-methyl-1,2,5-oxadiazol-3-…

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) 1.80 1.85 -11.32 1 5 0 68 220.228 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenol 2-methyl-3-[(4-methyl-1,2,5-oxad…

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) 2.85 2.26 -11.87 1 5 0 68 220.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenol 4-[(4-methyl-1,2,5-oxadiazol-3-y…

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) 2.03 1.44 -11.46 1 5 0 68 206.201 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenol 2-[(4-methyl-1,2,5-oxadiazol-3-y…

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) 1.81 2.13 -11.58 1 5 0 68 206.201 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenol 3-[(4-methyl-1,2,5-oxadiazol-3-y…

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) 2.00 1.45 -12.26 1 5 0 68 206.201 3 ↓

Parameters Provided:

ring.id = 459932
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 = 459932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=459932&filter.purchasability=annotated

Embed Link to Results