| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: 4-[(1S)-1-[[(1S)-1-(2-hydroxy-5-methyl-phenyl)ethyl]amino]ethyl]benzonitrile 4-[(1S)-1-[[(1S)-1-(2-hydroxy-5-…
| 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) | 4.13 | 7.85 | -50.24 | 3 | 3 | 1 | 61 | 281.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 6.94 | -7.33 | 2 | 3 | 0 | 56 | 280.371 | 4 | ↓ |
