UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6R,7S)-7-[[(2R)-2-amino-2-(4-aminophenyl)acetyl]amino]-8-oxo-3-(trifluoromethyl)-1-azabicyclo[4.2.0 (6R,7S)-7-[[(2R)-2-amino-2-(4-am…

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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) -2.06 2.26 -91.91 6 8 0 143 398.341 5 ↓
Mid Mid (pH 6-8) -2.06 1.96 -57.22 5 8 -1 142 397.333 5 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2R)-2-amino-2-(4-fluorophenyl)acetyl]amino]-8-oxo-3-(trifluoromethyl)-1-azabicyclo[4.2. (6R,7S)-7-[[(2R)-2-amino-2-(4-fl…

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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) -0.98 4.48 -99.64 4 7 0 117 401.316 5 ↓
Mid Mid (pH 6-8) -0.98 4.17 -57.09 3 7 -1 116 400.308 5 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2R)-2-amino-2-(3-bromophenyl)acetyl]amino]-8-oxo-3-(trifluoromethyl)-1-azabicyclo[4.2.0 (6R,7S)-7-[[(2R)-2-amino-2-(3-br…

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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) -0.36 5.04 -94.93 4 7 0 117 462.222 5 ↓
Mid Mid (pH 6-8) -0.36 4.73 -56.29 3 7 -1 116 461.214 5 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2R)-2-amino-2-(3-methanesulfonamidophenyl)acetyl]amino]-8-oxo-3-(trifluoromethyl)-1-aza (6R,7S)-7-[[(2R)-2-amino-2-(3-me…

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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) -1.93 1.07 -111.42 5 10 0 163 476.433 7 ↓
Hi High (pH 8-9.5) -1.93 0.82 -104.93 3 10 -2 164 474.417 7 ↓
Mid Mid (pH 6-8) -1.93 1.14 -129.02 4 10 -1 165 475.425 7 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2R)-2-amino-2-(p-tolyl)acetyl]amino]-8-oxo-3-(trifluoromethyl)-1-azabicyclo[4.2.0]oct-2 (6R,7S)-7-[[(2R)-2-amino-2-(p-to…

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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) -0.69 5.08 -93.42 4 7 0 117 397.353 5 ↓
Mid Mid (pH 6-8) -0.69 4.77 -55.89 3 7 -1 116 396.345 5 ↓

Parameters Provided:

ring.id = 11701
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 = 11701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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