UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4890038
4890038
4920262
4920262
4920267
4920267
16602132
16602132
16602133
16602133

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Popular Name: 3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl 3-[3-(4-isopropylphenyl)-1,2,4-o…

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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) 5.42 -0.05 -11.72 1 6 0 71 408.477 4 ↓

Analogs

4920262
4920262
4920267
4920267
16602132
16602132
16602133
16602133
16602168
16602168

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Popular Name: 3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl 3-[3-(4-isopropylphenyl)-1,2,4-o…

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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) 5.42 -0.05 -11.62 1 6 0 71 408.477 4 ↓

Analogs

4890279
4890279
4904101
4904101
4904116
4904116
16602126
16602126
16602127
16602127

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Popular Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6- 3-[3-(4-methoxyphenyl)-1,2,4-oxa…

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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) 4.53 -1.75 -14.35 1 7 0 80 412.877 4 ↓

Analogs

4904101
4904101
4904116
4904116
16602124
16602124
16602125
16602125
16602126
16602126

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6- 3-[3-(4-methoxyphenyl)-1,2,4-oxa…

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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) 4.53 -1.77 -14.42 1 7 0 80 412.877 4 ↓

Parameters Provided:

ring.id = 249504
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 = 249504 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=249504&filter.purchasability=annotated

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