| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2010 | 29 | Yes |
Popular Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide N-[(2R,3S)-3-amino-2-hydroxy-4-p…
None
| 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 | 4.55 | -59.8 | 4 | 7 | 1 | 104 | 421.539 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 4.23 | -10.22 | 3 | 7 | 0 | 102 | 420.531 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5972989; US6150556 | IBM Patent Data |
