UCSF

ZINC34803911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 17 No

Popular Name: (1-hydroxy-1-phosphono-octyl)phosphonic (1-hydroxy-1-phosphono-octyl)pho…

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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) 0.66 -0.67 -229.03 2 7 -3 144 287.165 8 ↓
Hi High (pH 8-9.5) 0.66 0.44 -384.72 1 7 -4 147 286.157 8 ↓
Mid Mid (pH 6-8) 0.66 -1.81 -112.41 3 7 -2 141 288.173 8 ↓

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 980 0.49 Binding ≤ 10μM
GGPPS-1-E Geranylgeranyl Pyrophosphate Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FPPS_HUMAN P14324 Farnesyl Diphosphate Synthase, Human 980 0.49 Binding ≤ 1μM
FPPS_HUMAN P14324 Farnesyl Diphosphate Synthase, Human 1900 0.47 Binding ≤ 10μM
GGPPS_HUMAN O95749 Geranylgeranyl Pyrophosphate Synthetase, Human 4300 0.44 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.