| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 35 | Yes |
Popular Name: [allyl-[(2S)-2-hydroxy-3-isobutoxy-propyl]amino]methyl-benzyl-BLAHone [allyl-[(2S)-2-hydroxy-3-isobuto…
| 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) | 3.17 | 9.65 | -52.32 | 3 | 7 | 1 | 83 | 497.685 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 7.23 | -13 | 2 | 7 | 0 | 82 | 496.677 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 6.9 | -47.46 | 2 | 7 | 0 | 86 | 496.677 | 12 | ↓ |
