UCSF
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Popular Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic-acid-(5-hydroxy-4-keto-2-phenyl-chromen (2S)-2-(tert-butoxycarbonylamino…

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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) 7.33 12.18 -21.65 3 9 0 131 540.572 9 ↓
Hi High (pH 8-9.5) 7.33 13.16 -71.75 2 9 -1 134 539.564 9 ↓

Analogs

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Popular Name: (2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic-acid-(5-hydroxy-4-keto-2-phenyl-chromen (2R)-2-(tert-butoxycarbonylamino…

Find On: PubMed — Wikipedia — Google

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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) 7.33 12.65 -18.34 3 9 0 131 540.572 9 ↓
Hi High (pH 8-9.5) 7.33 13.63 -70.62 2 9 -1 134 539.564 9 ↓

Parameters Provided:

ring.id = 231133
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 = 231133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=231133&filter.purchasability=annotated

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