| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 35 | Yes |
Popular Name: benzyl-[[[(2S)-2-hydroxy-3-isobutoxy-propyl]-isopropyl-amino]methyl]BLAHone benzyl-[[[(2S)-2-hydroxy-3-isobu…
| 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) | 3.20 | 9.28 | -53.01 | 3 | 7 | 1 | 83 | 499.701 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 6.57 | -48.71 | 2 | 7 | 0 | 86 | 498.693 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 7.3 | -15.02 | 2 | 7 | 0 | 82 | 498.693 | 11 | ↓ |
