| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 30 | Yes |
Popular Name: benzyl-[[[(2S)-2-hydroxypentyl]-methyl-amino]methyl]BLAHone benzyl-[[[(2S)-2-hydroxypentyl]-…
| 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) | 2.86 | 8.1 | -54.14 | 3 | 6 | 1 | 74 | 427.594 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 5.71 | -13.13 | 2 | 6 | 0 | 72 | 426.586 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 5.41 | -47.85 | 2 | 6 | 0 | 77 | 426.586 | 8 | ↓ |
