| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 36 | Yes |
Popular Name: benzyl-[[[(2S)-2-hydroxy-3-isobutoxy-propyl]-isobutyl-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) | 3.65 | 9.79 | -53.6 | 3 | 7 | 1 | 83 | 513.728 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 7.53 | -47.39 | 2 | 7 | 0 | 86 | 512.72 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 8.51 | -13.38 | 2 | 7 | 0 | 82 | 512.72 | 12 | ↓ |
