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 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-8-oxo-3-[4-(4-pyridyl) (6R,7S)-7-[[(2E)-2-(2-aminothiaz…

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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) 0.84 6.47 -67.32 3 12 -1 176 588.648 10 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[(4-methyl-5,6-dioxo (6R,7S)-7-[[(2E)-2-(2-aminothiaz…

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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) -1.56 3.85 -62.82 4 15 -1 218 553.534 9 ↓
Hi High (pH 8-9.5) -1.10 3.06 -116.43 3 15 -2 221 552.526 9 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[(6-ethoxy-2-methyl- (6R,7S)-7-[[(2E)-2-(2-aminothiaz…

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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) -0.45 3.35 -63.57 3 15 -1 207 581.588 11 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-8-oxo-3-thiazolo[4,5-c (6R,7S)-7-[[(2E)-2-(2-aminothiaz…

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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) 0.86 5.56 -63.64 3 12 -1 176 562.61 9 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-8-oxo-3-(4-phenylthiaz (6R,7S)-7-[[(2E)-2-(2-aminothiaz…

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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) 2.12 8.27 -68.01 3 11 -1 163 587.66 10 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-(4,5-dimethylthiazol (6R,7S)-7-[[(2E)-2-(2-aminothiaz…

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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) 0.90 6.49 -64.56 3 11 -1 163 539.616 9 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-8-oxo-3-thiazolo[5,4-c (6R,7S)-7-[[(2E)-2-(2-aminothiaz…

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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) 0.86 4.87 -65.2 3 12 -1 176 562.61 9 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-benzyloxyimino-acetyl]amino]-3-(3,4-dimethylpyridin-1-ium (6R,7S)-7-[[(2Z)-2-(2-aminothiaz…

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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) -2.57 11.59 -50.65 3 11 0 154 546.609 8 ↓
Lo Low (pH 4.5-6) -2.57 11.78 -77.41 4 11 1 155 547.617 8 ↓

Analogs

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Popular Name: (6S,7S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfan (6S,7S)-7-[[(2Z)-2-(2-aminothiaz…

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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 1.4 -80.31 5 13 -1 203 495.548 8 ↓
Hi High (pH 8-9.5) -0.69 2.53 -139.1 4 13 -2 205 494.54 8 ↓
Hi High (pH 8-9.5) -0.69 2.52 -211.33 3 13 -3 204 493.532 8 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfan (6R,7S)-7-[[(2Z)-2-(2-aminothiaz…

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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 1.49 -80.97 5 13 -1 203 495.548 8 ↓
Hi High (pH 8-9.5) -0.69 2.61 -211.23 3 13 -3 204 493.532 8 ↓
Hi High (pH 8-9.5) -0.69 2.62 -139.35 4 13 -2 205 494.54 8 ↓

Parameters Provided:

ring.id = 11702
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 = 11702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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