| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 31 | Yes |
Popular Name: [allyl-(2-hydroxy-2-methyl-propyl)amino]methyl-benzyl-BLAHone [allyl-(2-hydroxy-2-methyl-propy…
| 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) | 2.89 | 8.83 | -45.29 | 3 | 6 | 1 | 74 | 439.605 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 7.26 | -11.72 | 2 | 6 | 0 | 72 | 438.597 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 6.06 | -45.53 | 2 | 6 | 0 | 77 | 438.597 | 8 | ↓ |
