| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 9 | Yes |
Popular Name: (2R,3S,4R)-2-(Hydroxymethyl)pyrrolidine-3,4-diol hydrochloride (2R,3S,4R)-2-(Hydroxymethyl)pyrr…
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CAS Number: [100991-93-3]
| 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 | -6.29 | -35.48 | 5 | 4 | 1 | 77 | 134.155 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.98 | -7.65 | -9.04 | 4 | 4 | 0 | 73 | 133.147 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5801247 | IBM Patent Data |
