UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: hydroxy(dimethyl)BLAHcarboxylic hydroxy(dimethyl)BLAHcarboxylic

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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) 5.51 12.08 -47.86 2 4 0 74 417.549 1 ↓
Mid Mid (pH 6-8) 5.51 11.67 -58.21 1 4 -1 73 416.541 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy(dimethyl)BLAHcarboxylic hydroxy(dimethyl)BLAHcarboxylic

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.51 11.12 -41.28 2 4 0 74 417.549 1 ↓
Mid Mid (pH 6-8) 5.51 10.65 -51.22 1 4 -1 73 416.541 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy(dimethyl)BLAHcarboxylic hydroxy(dimethyl)BLAHcarboxylic

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.51 10.63 -46.9 2 4 0 74 417.549 1 ↓
Mid Mid (pH 6-8) 5.51 10.26 -57.4 1 4 -1 73 416.541 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy(dimethyl)BLAHcarboxylic hydroxy(dimethyl)BLAHcarboxylic

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.51 11.19 -41.91 2 4 0 74 417.549 1 ↓
Mid Mid (pH 6-8) 5.51 10.78 -51.45 1 4 -1 73 416.541 1 ↓

Parameters Provided:

ring.id = 590158
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 = 590158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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