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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S,4S)-4-[4-[1-methyl-1-(3-methylbut-2-enoylamino)ethyl]triazol-1-yl]pyrrolidine-2-carboxylic (2S,4S)-4-[4-[1-methyl-1-(3-meth…

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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) -0.66 4.24 -47.1 3 8 0 117 321.381 5 ↓
Hi High (pH 8-9.5) -0.66 3.07 -47.74 2 8 -1 112 320.373 5 ↓

Analogs

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Popular Name: (2S,4S)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethyl-pyrrolidine-2-carboxamide (2S,4S)-4-[4-(diethylaminomethyl…

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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) 0.02 3.61 -97.48 4 7 2 81 296.419 7 ↓
Hi High (pH 8-9.5) 0.02 2.42 -39.59 3 7 1 76 295.411 7 ↓
Hi High (pH 8-9.5) 0.02 0.06 -13.66 2 7 0 75 294.403 7 ↓

Analogs

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Popular Name: methyl 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) -0.88 1.19 -52.57 3 9 1 106 311.366 6 ↓
Hi High (pH 8-9.5) -0.88 -0.01 -16.94 2 9 0 101 310.358 6 ↓

Analogs

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Popular Name: (2S,4S)-4-(4-butyltriazol-1-yl)pyrrolidine-2-carboxylic (2S,4S)-4-(4-butyltriazol-1-yl)p…

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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) -0.61 4.74 -45.15 2 6 0 87 238.291 5 ↓
Hi High (pH 8-9.5) -0.61 3.57 -46.94 1 6 -1 83 237.283 5 ↓

Analogs

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Popular Name: (2S,4R)-4-[4-[[[(1R)-1,2-dimethylpropyl]carbamoylamino]methyl]triazol-1-yl]-N-isopropyl-pyrrolidine- (2S,4R)-4-[4-[[[(1R)-1,2-dimethy…

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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) 0.42 1.81 -61.44 5 9 1 118 366.49 7 ↓
Hi High (pH 8-9.5) 0.42 0.53 -17.89 4 9 0 113 365.482 7 ↓

Parameters Provided:

ring.id = 523547
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 = 523547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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