UCSF

ZINC26735782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 16 No

Popular Name: [1-phosphono-2-(3-pyridyl)ethyl]phosphonic [1-phosphono-2-(3-pyridyl)ethyl]…

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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) -1.66 -0.41 -231.67 1 7 -3 136 264.09 4 ↓
Hi High (pH 8-9.5) -1.66 0.69 -392.03 0 7 -4 139 263.082 4 ↓
Mid Mid (pH 6-8) -1.66 -1.38 -106.77 2 7 -2 134 265.098 4 ↓
Lo Low (pH 4.5-6) -1.66 -0.91 -85.52 3 7 -1 135 266.106 4 ↓

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 7 0.71 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FPPS_HUMAN P14324 Farnesyl Diphosphate Synthase, Human 173.4 0.59 Binding ≤ 1μM
FPPS_HUMAN P14324 Farnesyl Diphosphate Synthase, Human 173.4 0.59 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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

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