| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2009 | 16 | No |
Popular Name: Piridronic acid Piridronic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100188-33-8 , 75755-07-6
| 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) | -1.60 | -0.24 | -240.46 | 1 | 7 | -3 | 136 | 264.09 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.60 | 0.86 | -399.92 | 0 | 7 | -4 | 139 | 263.082 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.60 | -1.42 | -115.73 | 2 | 7 | -2 | 134 | 265.098 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.60 | -1.05 | -77.94 | 3 | 7 | -1 | 135 | 266.106 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FPPS-1-E | Farnesyl Diphosphate Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.73 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FPPS_HUMAN | P14324 | Farnesyl Diphosphate Synthase, Human | 258.8 | 0.58 | Binding ≤ 1μM |
| FPPS_HUMAN | P14324 | Farnesyl Diphosphate Synthase, Human | 258.8 | 0.58 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis |
