UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3418604
3418604
3418607
3418607

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Popular Name: 2-(2-fluorophenyl)-4-(4-phenylphenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-triene 2-(2-fluorophenyl)-4-(4-phenylph…

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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) 5.01 15.62 -13.88 0 4 0 43 368.415 3 ↓
Mid Mid (pH 6-8) 5.01 16.62 -48.35 2 4 1 47 369.423 3 ↓
Lo Low (pH 4.5-6) 5.01 15.95 -36.35 1 4 1 45 369.423 3 ↓

Analogs

3418604
3418604
3418607
3418607

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenyl)-4-(4-phenylphenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-triene 2-(2-fluorophenyl)-4-(4-phenylph…

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) 5.01 15.11 -13.41 0 4 0 43 368.415 3 ↓
Mid Mid (pH 6-8) 5.01 16.67 -48.84 2 4 1 47 369.423 3 ↓
Lo Low (pH 4.5-6) 5.01 15.45 -36.42 1 4 1 45 369.423 3 ↓

Parameters Provided:

ring.id = 1604
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 = 1604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1604&filter.purchasability=annotated

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