UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34888310
34888310
34888311
34888311

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Popular Name: [(2S)-tetrahydrofuran-2-yl]methyl [(2S)-tetrahydrofuran-2-yl]methyl

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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) 4.48 11.96 -22.08 1 7 0 83 509.624 8 ↓

Analogs

34888310
34888310
34888311
34888311
1152148
1152148

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydrofuran-2-yl]methyl [(2S)-tetrahydrofuran-2-yl]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) 4.48 11.9 -21.92 1 7 0 83 509.624 8 ↓

Analogs

34888310
34888310
34888311
34888311
1152148
1152148

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-tetrahydrofuran-2-yl]methyl [(2R)-tetrahydrofuran-2-yl]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) 4.48 12.49 -28.52 1 7 0 83 509.624 8 ↓

Analogs

34888308
34888308
34888309
34888309

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydrofuran-2-yl]methyl [(2S)-tetrahydrofuran-2-yl]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) 4.18 12.56 -30.58 1 7 0 83 509.624 8 ↓

Analogs

34888308
34888308
34888309
34888309

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydrofuran-2-yl]methyl [(2S)-tetrahydrofuran-2-yl]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) 4.18 12.21 -19.66 1 7 0 83 509.624 8 ↓

Analogs

34888308
34888308
34888309
34888309

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-tetrahydrofuran-2-yl]methyl [(2R)-tetrahydrofuran-2-yl]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) 4.18 11.78 -18.73 1 7 0 83 509.624 8 ↓

Parameters Provided:

ring.id = 23959
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 = 23959 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=23959&filter.purchasability=annotated

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