| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 30 | Yes |
Popular Name: benzyl-[[[(2S)-2-hydroxy-2-methyl-but-3-enyl]-methyl-amino]methyl]BLAHone benzyl-[[[(2S)-2-hydroxy-2-methy…
| 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) | 2.51 | 8.32 | -52.71 | 3 | 6 | 1 | 74 | 425.578 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 6.5 | -12.59 | 2 | 6 | 0 | 72 | 424.57 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 5.89 | -45.44 | 2 | 6 | 0 | 77 | 424.57 | 7 | ↓ |
