UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3923560
3923560

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Popular Name: [(1R)-1-ethoxycarbonyloxyethyl] [(1R)-1-ethoxycarbonyloxyethyl]

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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) 5.37 12.99 -58.36 0 12 -1 142 555.571 13 ↓
Lo Low (pH 4.5-6) 5.37 14 -57.04 1 12 0 143 556.579 13 ↓

Analogs

1493423
1493423
1555101
1555101

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Popular Name: [(1S)-1-acetoxyethyl] [(1S)-1-acetoxyethyl]

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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) 5.23 12.46 -58.36 0 11 -1 132 525.545 11 ↓

Analogs

1555100
1555100

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Popular Name: [(1S)-1-(2,2-dimethylpropanoyloxy)ethyl] [(1S)-1-(2,2-dimethylpropanoylox…

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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) 6.72 14.44 -49.36 0 11 -1 132 567.626 12 ↓

Parameters Provided:

ring.id = 242429
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 = 242429 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=242429&filter.purchasability=annotated

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