UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: S-(1,3-benzoxazol-2-yl) S-(1,3-benzoxazol-2-yl)

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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) 5.19 8.42 -17.59 0 4 0 56 337.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: S-(1,3-benzoxazol-2-yl) S-(1,3-benzoxazol-2-yl)

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) 5.42 8.4 -16.85 0 4 0 56 357.818 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: S-(1,3-benzoxazol-2-yl) S-(1,3-benzoxazol-2-yl)

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) 5.79 8.74 -16.87 0 4 0 56 371.845 4 ↓

Analogs

3076985
3076985

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Popular Name: S-(1,3-benzoxazol-2-yl) S-(1,3-benzoxazol-2-yl)

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) 4.81 7.97 -17.64 0 4 0 56 323.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: S-(1,3-benzoxazol-2-yl) S-(1,3-benzoxazol-2-yl)

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) 4.81 7.98 -17.61 0 4 0 56 323.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: S-(1,3-benzoxazol-2-yl) S-(1,3-benzoxazol-2-yl)

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) 5.28 8.73 -17.25 0 4 0 56 337.4 5 ↓

Parameters Provided:

ring.id = 2893
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 = 2893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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