UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Fmoc-(S)-3-Amino-3-(4-bromo-phenyl)-propionic acid Fmoc-(S)-3-Amino-3-(4-bromo-phen…

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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) 4.30 -1.04 -51.61 1 5 -1 78 465.323 7 ↓

Analogs

8699162
8699162

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Popular Name: (3,4-Dichloro-phenyl)-[(9h-fluoren-9-ylmethoxycarbonylamino)]-acetic acid (3,4-Dichloro-phenyl)-[(9h-fluor…

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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) 5.41 -0.33 -51.66 1 5 -1 78 441.29 6 ↓

Analogs

2585876
2585876
2598929
2598929

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Popular Name: Fmoc-(R)-3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid Fmoc-(R)-3-Amino-3-(3,4-dimethox…

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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) 3.14 0.05 -57.22 1 7 -1 96 446.479 9 ↓

Analogs

38580531
38580531

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Popular Name: (3S)-3-(4-bromo-2-fluoro-phenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic (3S)-3-(4-bromo-2-fluoro-phenyl)…

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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) 4.39 14.09 -50.69 1 5 -1 78 483.313 7 ↓

Analogs

38580530
38580530

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Popular Name: (3R)-3-(4-bromo-2-fluoro-phenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic (3R)-3-(4-bromo-2-fluoro-phenyl)…

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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) 4.39 14.14 -50.82 1 5 -1 78 483.313 7 ↓

Analogs

38580533
38580533

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Popular Name: (3S)-3-(5-bromo-2-fluoro-phenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic (3S)-3-(5-bromo-2-fluoro-phenyl)…

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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) 4.39 14.08 -51.35 1 5 -1 78 483.313 7 ↓

Analogs

38580532
38580532

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Popular Name: (3R)-3-(5-bromo-2-fluoro-phenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic (3R)-3-(5-bromo-2-fluoro-phenyl)…

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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) 4.39 14.13 -51.51 1 5 -1 78 483.313 7 ↓

Parameters Provided:

ring.id = 233311
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 = 233311 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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