UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)thiazol-5-yl]methyl]cyclopropanamine N-[[2-(azocan-1-yl)thiazol-5-yl]…

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) 3.18 8.29 -36.05 2 3 1 33 266.434 4 ↓
Hi High (pH 8-9.5) 3.18 6.99 -5.25 1 3 0 28 265.426 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)-4-propyl-thiazol-5-yl]methyl]cyclopropanamine N-[[2-(azocan-1-yl)-4-propyl-thi…

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) 4.47 10.35 -36.24 2 3 1 33 308.515 6 ↓
Hi High (pH 8-9.5) 4.47 9.17 -4.81 1 3 0 28 307.507 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]methyl]cyclopropanamine N-[[2-(azocan-1-yl)-4-methyl-thi…

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) 3.40 8.78 -36.27 2 3 1 33 280.461 4 ↓
Hi High (pH 8-9.5) 3.40 7.5 -5.61 1 3 0 28 279.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)-4-ethyl-thiazol-5-yl]methyl]cyclopropanamine N-[[2-(azocan-1-yl)-4-ethyl-thia…

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) 3.97 9.57 -36.03 2 3 1 33 294.488 5 ↓
Hi High (pH 8-9.5) 3.97 8.29 -5.54 1 3 0 28 293.48 5 ↓

Parameters Provided:

ring.id = 365335
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 = 365335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=365335&filter.purchasability=annotated

Embed Link to Results