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

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2R)-2-methylazepan-1-yl]cycloheptanamine (1S,2R)-2-[(2R)-2-methylazepan-1…

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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) 2.85 6.37 -112.68 4 2 2 32 226.408 1 ↓
Hi High (pH 8-9.5) 2.85 5.12 -39.59 3 2 1 31 225.4 1 ↓
Mid Mid (pH 6-8) 2.85 6.66 -27.55 3 2 1 30 225.4 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S)-2-methylazepan-1-yl]cycloheptanamine (1S,2R)-2-[(2S)-2-methylazepan-1…

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) 2.85 6.52 -116.05 4 2 2 32 226.408 1 ↓
Hi High (pH 8-9.5) 2.85 4.63 -38.77 3 2 1 31 225.4 1 ↓
Mid Mid (pH 6-8) 2.85 6.43 -27.93 3 2 1 30 225.4 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2R)-2-methylazepan-1-yl]cycloheptanol (1S,2R)-2-[(2R)-2-methylazepan-1…

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) 3.35 5.85 -25.99 2 2 1 25 226.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S)-2-methylazepan-1-yl]cycloheptanol (1S,2R)-2-[(2S)-2-methylazepan-1…

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) 3.35 6.31 -26.4 2 2 1 25 226.384 1 ↓

Parameters Provided:

ring.id = 502739
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 = 502739 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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