UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-3-[(2R)-2-methylazepan-1-yl]tetrahydrothiophen-3-yl]methanamine [(3S)-3-[(2R)-2-methylazepan-1-y…

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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) 1.60 3.98 -43.43 3 2 1 31 229.413 2 ↓
Hi High (pH 8-9.5) 1.60 4.11 -3.5 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.60 5.01 -114.69 4 2 2 32 230.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(2S)-2-methylazepan-1-yl]tetrahydrothiophen-3-yl]methanamine [(3S)-3-[(2S)-2-methylazepan-1-y…

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) 1.60 3.55 -49.13 3 2 1 31 229.413 2 ↓
Hi High (pH 8-9.5) 1.60 3.17 -3.12 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.60 5.27 -120.31 4 2 2 32 230.421 2 ↓

Parameters Provided:

ring.id = 502732
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 = 502732 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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