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

Analogs

41193702
41193702
41193705
41193705
41061049
41061049

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Popular Name: 1-(4-methylthiazol-2-yl)-N-propyl-cycloheptanamine 1-(4-methylthiazol-2-yl)-N-propy…

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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) 3.94 7.83 -27.68 2 2 1 29 253.435 4 ↓
Hi High (pH 8-9.5) 3.94 6.95 -2.46 1 2 0 25 252.427 4 ↓

Analogs

41189920
41189920

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Popular Name: 1-(4,5-dimethylthiazol-2-yl)-N-propyl-cycloheptanamine 1-(4,5-dimethylthiazol-2-yl)-N-p…

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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) 4.16 8.06 -30.93 2 2 1 29 267.462 4 ↓
Hi High (pH 8-9.5) 4.16 7.47 -3.83 1 2 0 25 266.454 4 ↓

Analogs

41190466
41190466

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Popular Name: 1-(4-ethyl-5-methyl-thiazol-2-yl)-N-propyl-cycloheptanamine 1-(4-ethyl-5-methyl-thiazol-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) 4.73 9.31 -27.23 2 2 1 29 281.489 5 ↓
Hi High (pH 8-9.5) 4.73 8.43 -2.81 1 2 0 25 280.481 5 ↓

Analogs

41191415
41191415
41190946
41190946

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Popular Name: 1-(4-isopropylthiazol-2-yl)-N-propyl-cycloheptanamine 1-(4-isopropylthiazol-2-yl)-N-pr…

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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) 4.99 8.69 -27.62 2 2 1 29 281.489 5 ↓
Hi High (pH 8-9.5) 4.99 8.77 -2.22 1 2 0 25 280.481 5 ↓

Analogs

41196255
41196255
41196257
41196257

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Popular Name: N-isopropyl-1-(4-methylthiazol-2-yl)cycloheptanamine N-isopropyl-1-(4-methylthiazol-2…

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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) 3.73 6.77 -28.82 2 2 1 29 253.435 3 ↓
Hi High (pH 8-9.5) 3.73 5.84 -4.07 1 2 0 25 252.427 3 ↓

Analogs

41196636
41196636
41196638
41196638

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,5-dimethylthiazol-2-yl)-N-isopropyl-cycloheptanamine 1-(4,5-dimethylthiazol-2-yl)-N-i…

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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) 3.95 7.77 -26.22 2 2 1 29 267.462 3 ↓
Hi High (pH 8-9.5) 3.95 6.06 -4.82 1 2 0 25 266.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethyl-5-methyl-thiazol-2-yl)-N-isopropyl-cycloheptanamine 1-(4-ethyl-5-methyl-thiazol-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) 4.53 8.23 -28.27 2 2 1 29 281.489 4 ↓
Hi High (pH 8-9.5) 4.53 7.32 -4.38 1 2 0 25 280.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-1-(4-isopropylthiazol-2-yl)cycloheptanamine N-isopropyl-1-(4-isopropylthiazo…

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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) 4.79 8.04 -28.76 2 2 1 29 281.489 4 ↓
Hi High (pH 8-9.5) 4.79 8.27 -1.81 1 2 0 25 280.481 4 ↓

Parameters Provided:

ring.id = 520694
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 = 520694 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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