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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41205964
41205964
41205965
41205965
41205966
41205966

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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) 1.07 3.02 -37.74 3 3 1 50 207.297 2 ↓
Hi High (pH 8-9.5) 1.07 1.82 -3.68 2 3 0 45 206.289 2 ↓
Lo Low (pH 4.5-6) 1.07 3.49 -102.79 4 3 2 51 208.305 2 ↓

Analogs

41205964
41205964
41205965
41205965
41205966
41205966

Draw Identity 99% 90% 80% 70%

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

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) 1.07 2.5 -42.46 3 3 1 50 207.297 2 ↓
Hi High (pH 8-9.5) 1.07 1.58 -4.15 2 3 0 45 206.289 2 ↓
Lo Low (pH 4.5-6) 1.07 2.97 -93.8 4 3 2 51 208.305 2 ↓

Analogs

41205964
41205964
41205965
41205965
41205966
41205966

Draw Identity 99% 90% 80% 70%

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

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) 1.07 2.52 -42.13 3 3 1 50 207.297 2 ↓
Hi High (pH 8-9.5) 1.07 1.54 -4.47 2 3 0 45 206.289 2 ↓
Lo Low (pH 4.5-6) 1.07 2.99 -94.87 4 3 2 51 208.305 2 ↓

Analogs

41205964
41205964
41205965
41205965
41205966
41205966

Draw Identity 99% 90% 80% 70%

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

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) 1.07 2.87 -37.14 3 3 1 50 207.297 2 ↓
Hi High (pH 8-9.5) 1.07 2.08 -4.24 2 3 0 45 206.289 2 ↓
Lo Low (pH 4.5-6) 1.07 3.33 -101.99 4 3 2 51 208.305 2 ↓

Parameters Provided:

ring.id = 477673
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 = 477673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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