UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11973478
11973478
11973487
11973487
11973493
11973493

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Popular Name: (6S)-11-methyl-9-oxo-6-(3-pyridyl)-N-[(1R)-1-thiazol-2-ylethyl]-6,7-dihydropyrido[2,1-d][1,5]benzoth (6S)-11-methyl-9-oxo-6-(3-pyridy…

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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) 2.94 -1.95 -19.89 1 6 0 77 474.611 4 ↓
Lo Low (pH 4.5-6) 2.94 -1.84 -37.93 2 6 1 78 475.619 4 ↓

Analogs

11973487
11973487
11973493
11973493
11973470
11973470

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-11-methyl-9-oxo-6-(3-pyridyl)-N-[(1S)-1-thiazol-2-ylethyl]-6,7-dihydropyrido[2,1-d][1,5]benzoth (6S)-11-methyl-9-oxo-6-(3-pyridy…

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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) 2.94 -2.35 -18.46 1 6 0 77 474.611 4 ↓
Lo Low (pH 4.5-6) 2.94 -2.23 -34.87 2 6 1 78 475.619 4 ↓

Analogs

11973493
11973493
11973470
11973470
11973478
11973478

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-11-methyl-9-oxo-6-(3-pyridyl)-N-[(1R)-1-thiazol-2-ylethyl]-6,7-dihydropyrido[2,1-d][1,5]benzoth (6R)-11-methyl-9-oxo-6-(3-pyridy…

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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) 2.94 -2.35 -20.68 1 6 0 77 474.611 4 ↓
Lo Low (pH 4.5-6) 2.94 -2.23 -56.14 2 6 1 78 475.619 4 ↓

Analogs

11973470
11973470
11973478
11973478

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-11-methyl-9-oxo-6-(3-pyridyl)-N-[(1S)-1-thiazol-2-ylethyl]-6,7-dihydropyrido[2,1-d][1,5]benzoth (6R)-11-methyl-9-oxo-6-(3-pyridy…

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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) 2.94 -2.32 -19.79 1 6 0 77 474.611 4 ↓
Lo Low (pH 4.5-6) 2.94 -2.2 -53.77 2 6 1 78 475.619 4 ↓

Analogs

11995890
11995890

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-11-methyl-9-oxo-6-(3-pyridyl)-N-(thiazol-2-ylmethyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepi (6S)-11-methyl-9-oxo-6-(3-pyridy…

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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) 2.38 -2.41 -23.3 1 6 0 77 460.584 4 ↓

Analogs

11995889
11995889

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Popular Name: (6R)-11-methyl-9-oxo-6-(3-pyridyl)-N-(thiazol-2-ylmethyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepi (6R)-11-methyl-9-oxo-6-(3-pyridy…

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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) 2.38 -3 -23.29 1 6 0 77 460.584 4 ↓

Parameters Provided:

ring.id = 62231
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 = 62231 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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