UCSF
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Analogs

4217536
4217536

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Popular Name: (3S)-4-[[(1R)-2-amino-1-benzyl-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propano (3S)-4-[[(1R)-2-amino-1-benzyl-2…

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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) -0.18 4.93 -80.88 9 12 0 214 596.71 16 ↓
Mid Mid (pH 6-8) -0.18 4.61 -62.55 8 12 -1 212 595.702 16 ↓
Lo Low (pH 4.5-6) -0.18 2.96 -62.31 10 12 1 211 597.718 16 ↓

Parameters Provided:

ring.id = 187118
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 = 187118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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