| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 18 | Yes |
Popular Name: 3-[(3-amino-4-hydroxy-phenyl)methyl-isobutyl-amino]propanenitrile 3-[(3-amino-4-hydroxy-phenyl)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) | 1.51 | 4.56 | -51.86 | 4 | 4 | 1 | 74 | 248.35 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 3.03 | -7.73 | 3 | 4 | 0 | 73 | 247.342 | 6 | ↓ |
