| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 9 | Yes |
Popular Name: (2R,3R,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diol hydrochloride (2R,3R,4S)-2-(Hydroxymethyl)pyrr…
Find On: PubMed — Wikipedia — Google
CAS Number: [117781-12-1]
| 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) | -1.98 | -8.55 | -37.15 | 5 | 4 | 1 | 77 | 134.155 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5801247 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9GPQ4-1-E | IAG-nucleoside Hydrolase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6100 | 0.81 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9GPQ4_TRYVI | Q9GPQ4 | IAG-nucleoside Hydrolase, Tryvi | 6100 | 0.81 | Binding ≤ 10μM |
