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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 1.06 6.15 -13.08 1 6 0 72 337.445 5 ↓
Lo Low (pH 4.5-6) 1.06 6.59 -43.12 2 6 1 73 338.453 5 ↓

Analogs

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Popular Name: (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methoxy-3-pyridyl)methyl]thiazolidine-4-carboxamide (4S)-3-(2,2-dimethylpropanoyl)-N…

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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) 1.34 4.12 -16.74 1 6 0 72 337.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(2,2-dimethylpropanoyl)-N-[(2-methoxy-3-pyridyl)methyl]thiazolidine-4-carboxamide (4R)-3-(2,2-dimethylpropanoyl)-N…

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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) 1.34 4.4 -16.77 1 6 0 72 337.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(3,3-dimethylbutanoyl)-N-[(6-methyl-3-pyridyl)methyl]thiazolidine-4-carboxamide (4R)-3-(3,3-dimethylbutanoyl)-N-…

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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) 1.32 7.25 -13.53 1 5 0 62 335.473 5 ↓
Lo Low (pH 4.5-6) 1.32 7.69 -40.64 2 5 1 64 336.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(3,3-dimethylbutanoyl)-N-[(6-methyl-3-pyridyl)methyl]thiazolidine-4-carboxamide (4S)-3-(3,3-dimethylbutanoyl)-N-…

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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) 1.32 7.4 -14.11 1 5 0 62 335.473 5 ↓
Lo Low (pH 4.5-6) 1.32 7.84 -42.01 2 5 1 64 336.481 5 ↓

Analogs

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Popular Name: (4S)-3-[(E)-but-2-enoyl]-N-isopropyl-N-(3-pyridylmethyl)thiazolidine-4-carboxamide (4S)-3-[(E)-but-2-enoyl]-N-isopr…

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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) 1.11 8.01 -13.62 0 5 0 54 333.457 5 ↓
Lo Low (pH 4.5-6) 1.11 8.47 -44.56 1 5 1 55 334.465 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[(E)-but-2-enoyl]-N-isopropyl-N-(3-pyridylmethyl)thiazolidine-4-carboxamide (4R)-3-[(E)-but-2-enoyl]-N-isopr…

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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) 1.11 8.37 -16.16 0 5 0 54 333.457 5 ↓
Lo Low (pH 4.5-6) 1.11 8.83 -41.03 1 5 1 55 334.465 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(2,2-dimethylpropanoyl)-N-[(6-methyl-3-pyridyl)methyl]thiazolidine-4-carboxamide (4R)-3-(2,2-dimethylpropanoyl)-N…

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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) 1.05 6.11 -15.17 1 5 0 62 321.446 4 ↓
Lo Low (pH 4.5-6) 1.05 6.55 -42.16 2 5 1 64 322.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(2,2-dimethylpropanoyl)-N-[(6-methyl-3-pyridyl)methyl]thiazolidine-4-carboxamide (4S)-3-(2,2-dimethylpropanoyl)-N…

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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) 1.05 6.45 -15.79 1 5 0 62 321.446 4 ↓
Lo Low (pH 4.5-6) 1.05 6.89 -43.79 2 5 1 64 322.454 4 ↓

Analogs

36771603
36771603
36771604
36771604
19814245
19814245

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2-dimethylaminoethyl)-N-(3-pyridylmethyl)thiazolidine-4-carboxamide (4R)-N-(2-dimethylaminoethyl)-N-…

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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) 0.00 4.94 -60.59 2 5 1 50 295.432 6 ↓
Mid Mid (pH 6-8) 0.00 6.03 -118.37 3 5 2 54 296.44 6 ↓

Analogs

36771603
36771603
36771604
36771604
19814245
19814245

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2-dimethylaminoethyl)-N-(3-pyridylmethyl)thiazolidine-4-carboxamide (4S)-N-(2-dimethylaminoethyl)-N-…

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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) 0.00 4.72 -56.37 2 5 1 50 295.432 6 ↓
Mid Mid (pH 6-8) 0.00 5.97 -111.31 3 5 2 54 296.44 6 ↓

Parameters Provided:

ring.id = 306194
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 = 306194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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