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

Analogs

11531672
11531672

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Popular Name: (10-cyano-8-thiabicyclo[5.3.0]deca-9,11-dien-9-yl)carbamoylmethyl (10-cyano-8-thiabicyclo[5.3.0]de…

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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) 4.76 1.29 -11.06 1 5 0 79 434.97 6 ↓

Analogs

36186471
36186471

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Popular Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-cyano-5,6,7,8-tetrahydro-…

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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) 3.35 7.63 -17.49 3 10 0 157 458.496 9 ↓

Analogs

20890593
20890593

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Popular Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-cyano-5,6,7,8-tetrahydro-…

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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) 4.48 10.04 -11.58 1 7 0 98 428.51 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-cyano-5,6,7,8-tetrahydro-…

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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) 4.74 9.14 -14.53 2 6 0 99 404.875 5 ↓
Mid Mid (pH 6-8) 4.74 10.17 -46.56 1 6 -1 102 403.867 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-cyano-5,6,7,8-tetrahydro-…

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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) 4.51 10.39 -12.18 1 6 0 88 463.353 6 ↓

Analogs

5752833
5752833

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-cyano-5,6,7,8-tetrahydro-…

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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) 4.01 10.32 -11.65 1 6 0 88 398.484 7 ↓

Parameters Provided:

ring.id = 39902
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 = 39902 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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