| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 16 | Yes |
Popular Name: 4-[(1S)-1-hydroxy-2-[[(1R)-1-methylpropyl]amino]ethyl]benzonitrile 4-[(1S)-1-hydroxy-2-[[(1R)-1-met…
| 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) | 1.87 | 4.64 | -46.65 | 3 | 3 | 1 | 61 | 219.308 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 3.53 | -6.24 | 2 | 3 | 0 | 56 | 218.3 | 5 | ↓ |
