UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [1-fluoro-2-[5-(1H-indazol-5-yl)-3-pyridyl]-1-phosphono-ethyl]phosphonic [1-fluoro-2-[5-(1H-indazol-5-yl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FPPS-1-E Farnesyl Diphosphate Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 700 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FPPS_HUMAN P14324 Farnesyl Diphosphate Synthase, Human 700 0.33 Binding ≤ 1μM
FPPS_HUMAN P14324 Farnesyl Diphosphate Synthase, Human 700 0.33 Binding ≤ 10μM

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) 0.30 1.74 -236.23 2 9 -3 165 398.203 5 ↓
Mid Mid (pH 6-8) 0.30 2.86 -399.34 1 9 -4 168 397.195 5 ↓
Lo Low (pH 4.5-6) 0.30 0.77 -118.33 3 9 -2 162 399.211 5 ↓

Analogs

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Popular Name: 6-chloro-5-(3-methyl-1H-indazol-5-yl)pyridin-3-ol 6-chloro-5-(3-methyl-1H-indazol-…

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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) 3.28 3.84 -39.51 1 4 -1 65 258.688 1 ↓
Hi High (pH 8-9.5) 3.28 4.27 -19.96 2 4 0 66 259.696 1 ↓
Mid Mid (pH 6-8) 3.28 3.07 -9.18 2 4 0 62 259.696 1 ↓

Parameters Provided:

ring.id = 369539
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 = 369539 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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