UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-(benzyloxycarbonylamino)propionic-acid-(4-keto-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-7 (2S)-2-(benzyloxycarbonylamino)p…

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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) 5.41 2.48 -17.09 1 7 0 94 421.449 7 ↓

Analogs

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Popular Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric-acid-(4-keto-6-methyl-2,3-dihydro-1H-cyclopenta[c]c (2S)-2-(benzyloxycarbonylamino)-…

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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) 6.19 2.61 -16.04 1 7 0 95 449.503 8 ↓

Analogs

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Popular Name: (2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butyric-acid-(4-keto-6-methyl-2,3-dihydro-1H-cyclopent (2S)-2-(benzyloxycarbonylamino)-…

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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) 5.87 1.94 -16.17 1 7 0 94 481.57 10 ↓

Parameters Provided:

ring.id = 232283
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 = 232283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=232283&filter.purchasability=annotated

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