| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 17 | No |
Popular Name: Risedronic acid Risedronic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 105462-24-6 , [105462-24-6]
| 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) | -2.29 | -3.41 | -224 | 2 | 8 | -3 | 157 | 280.089 | 4 | ↓ |
| Hi High (pH 8-9.5) | -2.29 | -2.3 | -380.72 | 1 | 8 | -4 | 159 | 279.081 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.29 | -4.83 | -114.76 | 3 | 8 | -2 | 154 | 281.097 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.29 | -4.39 | -89.54 | 4 | 8 | -1 | 155 | 282.105 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FPPS-1-E | Farnesyl Diphosphate Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.48 | Binding ≤ 10μM |
| Q0GKD7-1-E | Farnesyl Pyrophosphate Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1340 | 0.48 | Binding ≤ 10μM |
| Q8ST54-1-E | Hexokinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6000 | 0.43 | Binding ≤ 10μM |
| Z50472-3-O | Toxoplasma Gondii (cluster #3 Of 4), Other | Other | 3500 | 0.45 | Functional ≤ 10μM |
| Z80954-2-O | HFF (Foreskin Fibroblasts) (cluster #2 Of 4), Other | Other | 3500 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FPPS_HUMAN | P14324 | Farnesyl Diphosphate Synthase, Human | 130 | 0.57 | Binding ≤ 1μM |
| FPPS_HUMAN | P14324 | Farnesyl Diphosphate Synthase, Human | 130 | 0.57 | Binding ≤ 10μM |
| Q0GKD7_LEIDO | Q0GKD7 | Farnesyl Pyrophosphate Synthase, Leido | 1340 | 0.48 | Binding ≤ 10μM |
| Q8ST54_TRYCR | Q8ST54 | Hexokinase, Trycr | 2800 | 0.46 | Binding ≤ 10μM |
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 3500 | 0.45 | Functional ≤ 10μM |
| Z50472 | Z50472 | Toxoplasma Gondii | 3500 | 0.45 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis |
No pre-computed analogs available. Try a structural similarity search.