UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36159760
36159760

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Popular Name: [cyclopropyl-[(2R)-3-(2-furylmethoxy)-2-hydroxy-propyl]amino]methylBLAHone [cyclopropyl-[(2R)-3-(2-furylmet…

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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) 1.87 7.42 -53.5 3 7 1 93 416.523 9 ↓
Hi High (pH 8-9.5) 2.33 4.35 -55.82 2 7 0 96 415.515 9 ↓
Hi High (pH 8-9.5) 1.87 5.26 -16.75 2 7 0 92 415.515 9 ↓

Analogs

36159755
36159755

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Popular Name: [cyclopropyl-[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]amino]methylBLAHone [cyclopropyl-[(2S)-3-(2-furylmet…

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) 1.87 7.55 -56.72 3 7 1 93 416.523 9 ↓
Hi High (pH 8-9.5) 2.33 4.66 -57.44 2 7 0 96 415.515 9 ↓
Hi High (pH 8-9.5) 1.87 5.19 -16.58 2 7 0 92 415.515 9 ↓

Parameters Provided:

ring.id = 77515
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 = 77515 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77515&filter.purchasability=annotated

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