UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,6R)-3-[(3-bromophenyl)methoxy]-2-(methoxymethyl)-6-phenyl-3,6-dihydro-2H-pyran (2R,3R,6R)-3-[(3-bromophenyl)met…

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) 4.58 10.03 -7.82 0 3 0 28 389.289 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,6R)-3-[(3-bromophenyl)methoxy]-2-(methoxymethyl)-6-phenyl-3,6-dihydro-2H-pyran (2S,3R,6R)-3-[(3-bromophenyl)met…

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) 4.58 9.69 -8.28 0 3 0 28 389.289 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,6R)-3-[(3-bromophenyl)methoxy]-2-(methoxymethyl)-6-phenyl-3,6-dihydro-2H-pyran (2R,3S,6R)-3-[(3-bromophenyl)met…

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) 4.58 9.82 -6.82 0 3 0 28 389.289 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,6R)-3-[(3-bromophenyl)methoxy]-2-(methoxymethyl)-6-phenyl-3,6-dihydro-2H-pyran (2S,3S,6R)-3-[(3-bromophenyl)met…

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) 4.58 9.74 -6 0 3 0 28 389.289 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R,6R)-3-[(3,5-dimethoxyphenyl)methoxy]-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol [(2R,3R,6R)-3-[(3,5-dimethoxyphe…

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 5.6 -11.55 1 5 0 57 356.418 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S,6R)-3-[(3,5-dimethoxyphenyl)methoxy]-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol [(2R,3S,6R)-3-[(3,5-dimethoxyphe…

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 5.4 -9.96 1 5 0 57 356.418 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R,6S)-3-[(3,5-dimethoxyphenyl)methoxy]-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol [(2R,3R,6S)-3-[(3,5-dimethoxyphe…

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 5.35 -9.11 1 5 0 57 356.418 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R,6R)-3-[(3-methoxyphenyl)methoxy]-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl [(2R,3R,6R)-3-[(3-methoxyphenyl)…

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) 3.92 10.61 -13.17 0 5 0 54 368.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,6R)-3-[(3-methoxyphenyl)methoxy]-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl [(2S,3R,6R)-3-[(3-methoxyphenyl)…

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) 3.92 10.26 -11.37 0 5 0 54 368.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S,6R)-3-[(3-methoxyphenyl)methoxy]-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl [(2R,3S,6R)-3-[(3-methoxyphenyl)…

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) 3.92 10.4 -10.12 0 5 0 54 368.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S,6R)-3-[(3-methoxyphenyl)methoxy]-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl [(2S,3S,6R)-3-[(3-methoxyphenyl)…

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) 3.92 10.31 -11.24 0 5 0 54 368.429 8 ↓

Parameters Provided:

ring.id = 471476
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 = 471476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=471476&filter.purchasability=annotated

Embed Link to Results