UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: primary fluorescent chlorophyll catabolite primary fluorescent chlorophyll …

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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) 5.53 13.71 -64.94 3 11 -1 174 627.718 12 ↓
Mid Mid (pH 6-8) 5.92 12.54 -131.62 3 11 -2 180 626.71 12 ↓
Mid Mid (pH 6-8) 5.52 13.15 -81.26 3 11 0 174 627.718 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: primary fluorescent chlorophyll catabolite primary fluorescent chlorophyll …

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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) 5.53 13.77 -67.71 3 11 -1 174 627.718 12 ↓
Mid Mid (pH 6-8) 5.92 12.6 -134.46 3 11 -2 180 626.71 12 ↓
Mid Mid (pH 6-8) 5.52 13.22 -86.45 3 11 0 174 627.718 12 ↓

Analogs

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Popular Name: 5-(4-chlorophenyl)-4,4-difluoro-2-methylene-3H-pyrrole 5-(4-chlorophenyl)-4,4-difluoro-…

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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) 4.05 6.94 -4.61 0 1 0 12 227.641 1 ↓

Parameters Provided:

ring.id = 169860
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 = 169860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=169860&filter.purchasability=annotated

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