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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: (2R,3R,4S)-3-[[2-(4-hexyltriazol-1-yl)acetyl]amino]-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4 (2R,3R,4S)-3-[[2-(4-hexyltriazol…

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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) -0.64 -2.52 -74.16 5 12 -1 190 441.461 12 ↓
Lo Low (pH 4.5-6) -0.64 -4.63 -32.09 6 12 0 187 442.469 12 ↓

Analogs

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Popular Name: (2R,3R,4S)-3-[[2-(4-ethoxytriazol-1-yl)acetyl]amino]-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3, (2R,3R,4S)-3-[[2-(4-ethoxytriazo…

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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) -2.95 -8.09 -73.48 5 13 -1 199 401.352 9 ↓
Lo Low (pH 4.5-6) -2.95 -10.21 -31.61 6 13 0 196 402.36 9 ↓

Analogs

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Popular Name: (2R,3R,4S)-3-[[2-[4-(diethoxymethyl)triazol-1-yl]acetyl]amino]-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxy (2R,3R,4S)-3-[[2-[4-(diethoxymet…

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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) -2.60 -5.59 -75.44 5 14 -1 209 459.432 12 ↓
Lo Low (pH 4.5-6) -2.60 -7.7 -33.49 6 14 0 206 460.44 12 ↓

Analogs

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Popular Name: (2R,3R,4S)-4-hydroxy-3-[[2-[4-(2-hydroxyethyl)triazol-1-yl]acetyl]amino]-2-[(1R,2R)-1,2,3-trihydroxy (2R,3R,4S)-4-hydroxy-3-[[2-[4-(2…

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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) -3.72 -8.97 -75.42 6 13 -1 210 401.352 9 ↓
Lo Low (pH 4.5-6) -3.72 -11.09 -33.36 7 13 0 207 402.36 9 ↓

Analogs

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Popular Name: (2R,3R,4S)-4-hydroxy-3-[[2-[4-(3-hydroxypropyl)triazol-1-yl]acetyl]amino]-2-[(1R,2R)-1,2,3-trihydrox (2R,3R,4S)-4-hydroxy-3-[[2-[4-(3…

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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) -3.45 -8.2 -77.59 6 13 -1 210 415.379 10 ↓
Lo Low (pH 4.5-6) -3.45 -10.32 -35.47 7 13 0 207 416.387 10 ↓

Parameters Provided:

ring.id = 366809
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 = 366809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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