UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-methylimidazol-2-yl)tetralin-2-ol (2S)-2-(1-methylimidazol-2-yl)te…

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 5.76 -6.85 1 3 0 38 228.295 1 ↓
Mid Mid (pH 6-8) 1.81 6.16 -32.27 2 3 1 39 229.303 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-methylimidazol-2-yl)tetralin-2-ol (2R)-2-(1-methylimidazol-2-yl)te…

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 5.63 -6.91 1 3 0 38 228.295 1 ↓
Mid Mid (pH 6-8) 1.81 6.04 -32.4 2 3 1 39 229.303 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-bromo-2-(1-methylimidazol-2-yl)tetralin-2-ol (2S)-6-bromo-2-(1-methylimidazol…

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) 2.59 6.38 -6.36 1 3 0 38 307.191 1 ↓
Mid Mid (pH 6-8) 2.59 6.79 -34.94 2 3 1 39 308.199 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-bromo-2-(1-methylimidazol-2-yl)tetralin-2-ol (2R)-6-bromo-2-(1-methylimidazol…

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) 2.59 6.26 -6.34 1 3 0 38 307.191 1 ↓
Mid Mid (pH 6-8) 2.59 6.67 -35.01 2 3 1 39 308.199 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-propylimidazol-2-yl)tetralin-2-ol (2S)-2-(1-propylimidazol-2-yl)te…

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) 2.69 7.14 -7.94 1 3 0 38 256.349 3 ↓
Mid Mid (pH 6-8) 2.69 7.55 -32.02 2 3 1 39 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-propylimidazol-2-yl)tetralin-2-ol (2R)-2-(1-propylimidazol-2-yl)te…

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) 2.69 7.51 -5.88 1 3 0 38 256.349 3 ↓
Mid Mid (pH 6-8) 2.69 7.91 -31.69 2 3 1 39 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-ethylimidazol-2-yl)tetralin-2-ol (2S)-2-(1-ethylimidazol-2-yl)tet…

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 6.41 -8.41 1 3 0 38 242.322 2 ↓
Mid Mid (pH 6-8) 2.19 6.82 -31.85 2 3 1 39 243.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-ethylimidazol-2-yl)tetralin-2-ol (2R)-2-(1-ethylimidazol-2-yl)tet…

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 6.73 -6.23 1 3 0 38 242.322 2 ↓
Mid Mid (pH 6-8) 2.19 7.15 -31.46 2 3 1 39 243.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-bromo-2-(1-propylimidazol-2-yl)tetralin-2-ol (2S)-6-bromo-2-(1-propylimidazol…

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) 3.47 7.77 -7.92 1 3 0 38 335.245 3 ↓
Mid Mid (pH 6-8) 3.47 8.17 -34.53 2 3 1 39 336.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-bromo-2-(1-propylimidazol-2-yl)tetralin-2-ol (2R)-6-bromo-2-(1-propylimidazol…

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) 3.47 8.13 -5.45 1 3 0 38 335.245 3 ↓
Mid Mid (pH 6-8) 3.47 8.54 -34.48 2 3 1 39 336.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-bromo-2-(1-ethylimidazol-2-yl)tetralin-2-ol (2S)-6-bromo-2-(1-ethylimidazol-…

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) 2.97 7.03 -8.41 1 3 0 38 321.218 2 ↓
Mid Mid (pH 6-8) 2.97 7.44 -34.42 2 3 1 39 322.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-bromo-2-(1-ethylimidazol-2-yl)tetralin-2-ol (2R)-6-bromo-2-(1-ethylimidazol-…

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) 2.97 7.37 -5.79 1 3 0 38 321.218 2 ↓
Mid Mid (pH 6-8) 2.97 7.78 -34.25 2 3 1 39 322.226 2 ↓

Parameters Provided:

ring.id = 345433
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 = 345433 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=345433&filter.purchasability=annotated

Embed Link to Results