UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: hydroxymethyl hydroxymethyl

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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) -1.67 -3.53 -14.84 2 5 0 76 145.114 3 ↓

Analogs

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Popular Name: hydroxymethyl hydroxymethyl

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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) -1.67 -3.71 -7.8 2 5 0 76 145.114 3 ↓

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) -1.02 -1.12 -10.88 1 4 0 55 129.115 2 ↓

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) -1.02 -1.3 -4.95 1 4 0 55 129.115 2 ↓

Analogs

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Popular Name: formyloxymethyl formyloxymethyl

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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) -1.24 -0.61 -19.55 1 6 0 82 173.124 5 ↓

Analogs

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Popular Name: formyloxymethyl formyloxymethyl

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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) -1.24 -0.79 -12.96 1 6 0 82 173.124 5 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-oxo-azetidine-2-carboxylic (2R)-2-methyl-3-oxo-azetidine-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) -3.17 -0.79 -46.78 1 4 -1 69 128.107 1 ↓
Mid Mid (pH 6-8) -3.17 0.89 -48.5 2 4 0 74 129.115 1 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-oxo-azetidine-2-carboxylic (2S)-2-methyl-3-oxo-azetidine-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) -3.17 -0.71 -51.4 1 4 -1 69 128.107 1 ↓
Mid Mid (pH 6-8) -3.17 0.89 -48.5 2 4 0 74 129.115 1 ↓

Analogs

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Popular Name: (2S)-2-(formyloxymethyl)-3-oxo-azetidine-2-carboxylic (2S)-2-(formyloxymethyl)-3-oxo-a…

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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) -3.75 -0.69 -45.76 1 6 -1 96 172.116 4 ↓
Lo Low (pH 4.5-6) -3.75 1.3 -54.01 2 6 0 100 173.124 4 ↓

Analogs

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Popular Name: (2R)-2-(formyloxymethyl)-3-oxo-azetidine-2-carboxylic (2R)-2-(formyloxymethyl)-3-oxo-a…

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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) -3.75 -0.66 -61.73 1 6 -1 96 172.116 4 ↓
Lo Low (pH 4.5-6) -3.75 1.26 -67.57 2 6 0 100 173.124 4 ↓

Parameters Provided:

ring.id = 194682
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 = 194682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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