UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4R)-6-fluorothiochroman-4-yl]tetrahydropyran-4-amine N-[(4R)-6-fluorothiochroman-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) 1.81 6.7 -43.52 2 2 1 26 268.377 2 ↓
Hi High (pH 8-9.5) 1.81 5.99 -4.45 1 2 0 21 267.369 2 ↓

Analogs

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Popular Name: N-[(4S)-6-fluorothiochroman-4-yl]tetrahydropyran-4-amine N-[(4S)-6-fluorothiochroman-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) 1.81 6.04 -45.54 2 2 1 26 268.377 2 ↓
Hi High (pH 8-9.5) 1.81 5.52 -3.51 1 2 0 21 267.369 2 ↓

Analogs

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Popular Name: N-[(4R)-6-chlorothiochroman-4-yl]tetrahydropyran-4-amine N-[(4R)-6-chlorothiochroman-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) 2.32 7.15 -42.69 2 2 1 26 284.832 2 ↓
Hi High (pH 8-9.5) 2.32 6.44 -3.81 1 2 0 21 283.824 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-6-chlorothiochroman-4-yl]tetrahydropyran-4-amine N-[(4S)-6-chlorothiochroman-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) 2.32 6.49 -44.6 2 2 1 26 284.832 2 ↓
Hi High (pH 8-9.5) 2.32 5.97 -3.08 1 2 0 21 283.824 2 ↓

Parameters Provided:

ring.id = 125376
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 = 125376 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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