UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (S)-[(2S)-azepan-2-yl]-(3-furyl)methanol (S)-[(2S)-azepan-2-yl]-(3-furyl)…

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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) 1.26 2.75 -37.9 3 3 1 50 196.27 2 ↓
Hi High (pH 8-9.5) 1.26 1.56 -3.44 2 3 0 45 195.262 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2S)-azepan-2-yl]-(3-furyl)methanol (R)-[(2S)-azepan-2-yl]-(3-furyl)…

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) 1.26 2.31 -38.48 3 3 1 50 196.27 2 ↓
Hi High (pH 8-9.5) 1.26 1.24 -3.89 2 3 0 45 195.262 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R)-azepan-2-yl]-(3-furyl)methanol (S)-[(2R)-azepan-2-yl]-(3-furyl)…

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) 1.26 2.16 -38.67 3 3 1 50 196.27 2 ↓
Hi High (pH 8-9.5) 1.26 1.2 -3.93 2 3 0 45 195.262 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R)-azepan-2-yl]-(3-furyl)methanol (R)-[(2R)-azepan-2-yl]-(3-furyl)…

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) 1.26 2.66 -37.27 3 3 1 50 196.27 2 ↓
Hi High (pH 8-9.5) 1.26 1.69 -3.61 2 3 0 45 195.262 2 ↓

Parameters Provided:

ring.id = 477882
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 = 477882 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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