UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(R)-hydroxy-[(3R)-tetrahydrof…

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) 0.03 -0.3 -12.59 3 6 0 88 276.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(S)-hydroxy-[(3R)-tetrahydrof…

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) 0.03 -0.54 -13.62 3 6 0 88 276.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(R)-hydroxy-[(3S)-tetrahydrof…

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) 0.03 -0.44 -13.69 3 6 0 88 276.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(S)-hydroxy-[(3S)-tetrahydrof…

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) 0.03 -0.22 -12.9 3 6 0 88 276.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(R)-chloro-[(3R)-tetrahydrofu…

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) 1.40 2.86 -13.91 2 5 0 67 294.738 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(S)-chloro-[(3R)-tetrahydrofu…

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) 1.40 2.86 -13.27 2 5 0 67 294.738 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(R)-chloro-[(3S)-tetrahydrofu…

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) 1.40 2.83 -12.73 2 5 0 67 294.738 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(S)-chloro-[(3S)-tetrahydrofu…

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) 1.40 2.86 -12.52 2 5 0 67 294.738 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(R)-bromo-[(3R)-tetrahydrofur…

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) 1.54 2.94 -12.22 2 5 0 67 339.189 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(S)-bromo-[(3R)-tetrahydrofur…

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) 1.54 2.94 -12.95 2 5 0 67 339.189 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(R)-bromo-[(3S)-tetrahydrofur…

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) 1.54 2.88 -12.47 2 5 0 67 339.189 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(S)-bromo-[(3S)-tetrahydrofur…

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) 1.54 2.95 -12.28 2 5 0 67 339.189 2 ↓

Parameters Provided:

ring.id = 20665
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 = 20665 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=20665&filter.purchasability=annotated

Embed Link to Results