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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

42443606
42443606
42443618
42443618
42443620
42443620

Draw Identity 99% 90% 80% 70%

Popular Name: [1-methyl-4-(1,4-thiazepan-4-yl)-4-piperidyl]methanamine [1-methyl-4-(1,4-thiazepan-4-yl)…

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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) 0.30 4.04 -112.02 4 3 2 35 245.436 2 ↓
Hi High (pH 8-9.5) 0.30 3.38 -38.68 3 3 1 34 244.428 2 ↓

Analogs

42443618
42443618
42443620
42443620
42443590
42443590

Draw Identity 99% 90% 80% 70%

Popular Name: [1-isopropyl-4-(1,4-thiazepan-4-yl)-4-piperidyl]methanamine [1-isopropyl-4-(1,4-thiazepan-4-…

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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) 0.97 5.23 -112.5 4 3 2 35 273.49 3 ↓
Hi High (pH 8-9.5) 0.97 4.56 -35.97 3 3 1 34 272.482 3 ↓

Analogs

42443620
42443620
42443590
42443590
42443606
42443606

Draw Identity 99% 90% 80% 70%

Popular Name: [1-ethyl-4-(1,4-thiazepan-4-yl)-4-piperidyl]methanamine [1-ethyl-4-(1,4-thiazepan-4-yl)-…

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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) 0.67 4.7 -112.79 4 3 2 35 259.463 3 ↓
Hi High (pH 8-9.5) 0.67 4.05 -37.5 3 3 1 34 258.455 3 ↓

Analogs

42443590
42443590
42443606
42443606
42443618
42443618

Draw Identity 99% 90% 80% 70%

Popular Name: [1-propyl-4-(1,4-thiazepan-4-yl)-4-piperidyl]methanamine [1-propyl-4-(1,4-thiazepan-4-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) 1.17 5.44 -114.49 4 3 2 35 273.49 4 ↓
Hi High (pH 8-9.5) 1.17 4.79 -38.25 3 3 1 34 272.482 4 ↓

Parameters Provided:

ring.id = 618547
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 = 618547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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