UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9692756
9692756
9692757
9692757

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Popular Name: (2R)-N-[(2-chlorophenyl)methyl]-2-[(2R)-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propa (2R)-N-[(2-chlorophenyl)methyl]-…

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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 12.54 -11.91 1 4 0 49 468.981 6 ↓

Analogs

9692756
9692756
9692757
9692757

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Popular Name: (2S)-N-[(2-chlorophenyl)methyl]-2-[(2R)-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propa (2S)-N-[(2-chlorophenyl)methyl]-…

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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 12.44 -16.74 1 4 0 49 468.981 6 ↓

Analogs

9692770
9692770
9692771
9692771

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Popular Name: (2R)-N-benzyl-2-[(2S)-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide (2R)-N-benzyl-2-[(2S)-4-[(2-fluo…

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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) 4.36 12.09 -16.38 1 4 0 49 434.536 6 ↓

Analogs

9692770
9692770
9692771
9692771

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Popular Name: (2S)-N-benzyl-2-[(2S)-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide (2S)-N-benzyl-2-[(2S)-4-[(2-fluo…

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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) 4.36 12.34 -16.21 1 4 0 49 434.536 6 ↓

Analogs

9692778
9692778
9692779
9692779
9692792
9692792

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Popular Name: (2R)-2-[(2S)-4-[(3-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]-N-(p-tolylmethyl)propanamide (2R)-2-[(2S)-4-[(3-chlorophenyl)…

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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) 5.35 13.17 -11.66 1 4 0 49 465.018 6 ↓

Analogs

9692778
9692778
9692779
9692779
9692792
9692792

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Popular Name: (2S)-2-[(2S)-4-[(3-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]-N-(p-tolylmethyl)propanamide (2S)-2-[(2S)-4-[(3-chlorophenyl)…

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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) 5.35 13.43 -11.47 1 4 0 49 465.018 6 ↓

Analogs

9692796
9692796
9692797
9692797
9692798
9692798

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Popular Name: (2S)-N-benzyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide (2S)-N-benzyl-2-[(2S)-4-[(2-chlo…

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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) 4.87 12.63 -12.56 1 4 0 49 450.991 6 ↓

Analogs

9692823
9692823
9692824
9692824

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Popular Name: (2S)-N-[(4-chlorophenyl)methyl]-2-[(2S)-4-(o-tolylmethyl)-3-oxo-1,4-benzothiazin-2-yl]propanamide (2S)-N-[(4-chlorophenyl)methyl]-…

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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) 5.32 13 -11.95 1 4 0 49 465.018 6 ↓

Analogs

9692823
9692823
9692824
9692824

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Popular Name: (2S)-N-[(4-chlorophenyl)methyl]-2-[(2R)-4-(o-tolylmethyl)-3-oxo-1,4-benzothiazin-2-yl]propanamide (2S)-N-[(4-chlorophenyl)methyl]-…

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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) 5.32 13.45 -13.01 1 4 0 49 465.018 6 ↓

Analogs

9692959
9692959
9692960
9692960
9692961
9692961

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Popular Name: (2S)-2-[(2S)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]-N-[(1S)-1-phenylethyl]propa (2S)-2-[(2S)-4-[(2,5-dimethylphe…

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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) 5.63 14.68 -10.85 1 4 0 49 458.627 6 ↓

Parameters Provided:

ring.id = 68225
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 = 68225 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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