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

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Popular Name: (1S,2R)-2-[(4-methylthiazol-2-yl)methylamino]cycloheptanecarbonitrile (1S,2R)-2-[(4-methylthiazol-2-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) 2.44 5.09 -8.95 1 3 0 49 249.383 3 ↓
Mid Mid (pH 6-8) 2.44 6.01 -46.88 2 3 1 53 250.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4-methylthiazol-2-yl)methylamino]cycloheptanecarbonitrile (1S,2S)-2-[(4-methylthiazol-2-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) 2.44 5.45 -8.25 1 3 0 49 249.383 3 ↓
Mid Mid (pH 6-8) 2.44 6.25 -40.91 2 3 1 53 250.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-methylthiazol-2-yl)methylamino]cycloheptanecarbonitrile (1R,2R)-2-[(4-methylthiazol-2-yl…

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) 2.44 4.95 -8.59 1 3 0 49 249.383 3 ↓
Mid Mid (pH 6-8) 2.44 6.25 -42.33 2 3 1 53 250.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-methylthiazol-2-yl)methylamino]cycloheptanecarbonitrile (1R,2S)-2-[(4-methylthiazol-2-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) 2.44 5.13 -9.48 1 3 0 49 249.383 3 ↓
Mid Mid (pH 6-8) 2.44 6.01 -43.1 2 3 1 53 250.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(thiazol-2-ylmethyl)cycloheptanamine N-(thiazol-2-ylmethyl)cyclohepta…

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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) 2.57 5.24 -37.98 2 2 1 29 211.354 3 ↓
Hi High (pH 8-9.5) 2.57 3.99 -3.23 1 2 0 25 210.346 3 ↓

Parameters Provided:

ring.id = 156214
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 = 156214 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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