| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 16 | No |
Popular Name: Neridronate Neridronate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 79778-41-9 , [79778-41-9]
| 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) | -2.45 | -4.84 | -221.08 | 5 | 8 | -2 | 171 | 275.134 | 7 | ↓ |
| Hi High (pH 8-9.5) | -2.45 | -3.74 | -366.13 | 4 | 8 | -3 | 174 | 274.126 | 7 | ↓ |
| Mid Mid (pH 6-8) | -2.45 | -6.16 | -126.04 | 6 | 8 | -1 | 169 | 276.142 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FPPS-1-E | Farnesyl Diphosphate Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 64 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FPPS_HUMAN | P14324 | Farnesyl Diphosphate Synthase, Human | 388.2 | 0.56 | Binding ≤ 1μM |
| FPPS_HUMAN | P14324 | Farnesyl Diphosphate Synthase, Human | 2427 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis |
No pre-computed analogs available. Try a structural similarity search.