UCSF

ZINC64548777

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 26 No

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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Download: MOL2 SDF SMILES Flexibase

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 ↓

Activity (Go SEA)

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

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.