UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[[[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3] 7-[[[(1R)-1-[1-[(4-fluorophenyl)…

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) 2.10 6.33 -45.28 3 10 1 120 495.535 10 ↓
Hi High (pH 8-9.5) 2.10 5.18 -15.41 2 10 0 118 494.527 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[[[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3] 7-[[[(1S)-1-[1-[(4-fluorophenyl)…

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) 2.10 6.28 -47.83 3 10 1 120 495.535 10 ↓
Hi High (pH 8-9.5) 2.10 4.84 -21.16 2 10 0 118 494.527 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[[[(1R)-1-(1-benzyltetrazol-5-yl)-2-methyl-propyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[ 7-[[[(1R)-1-(1-benzyltetrazol-5-…

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) 2.18 6.83 -52.21 3 10 1 120 491.572 10 ↓
Hi High (pH 8-9.5) 2.18 5.18 -18.52 2 10 0 118 490.564 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[[[(1S)-1-(1-benzyltetrazol-5-yl)-2-methyl-propyl]-(3-hydroxypropyl)amino]methyl]-5H-[1,3]dioxolo[ 7-[[[(1S)-1-(1-benzyltetrazol-5-…

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) 2.18 6.6 -55.62 3 10 1 120 491.572 10 ↓
Hi High (pH 8-9.5) 2.18 4.15 -15.06 2 10 0 118 490.564 10 ↓

Parameters Provided:

ring.id = 23354
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 = 23354 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=23354&filter.purchasability=annotated

Embed Link to Results