UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2279400
2279400
4733070
4733070

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Popular Name: 2-(2-furyl)vinyl-dimethyl-BLAHone 2-(2-furyl)vinyl-dimethyl-BLAHone

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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) 3.90 6.13 -6.86 1 4 0 49 308.381 2 ↓

Analogs

5377415
5377415

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Popular Name: (10aS)-8,10,10-trimethyl-10a-[(E)-2-(1-naphthyl)vinyl]-3,4-dihydropyrimido[1,2-a]indol-2-ol (10aS)-8,10,10-trimethyl-10a-[(E…

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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) 6.04 13.24 -9.95 1 3 0 32 382.507 2 ↓

Analogs

9209639
9209639
9236899
9236899

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Popular Name: (10aR)-10a-[(E)-2-[4-(2-chlorobenzyl)oxy-3-ethoxy-phenyl]vinyl]-10,10-dimethyl-3,4-dihydropyrimido[1 (10aR)-10a-[(E)-2-[4-(2-chlorobe…

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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) 6.89 15.11 -12.16 1 5 0 51 503.042 7 ↓

Parameters Provided:

ring.id = 221604
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 = 221604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=221604&filter.purchasability=annotated

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