| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 14 | Yes |
Popular Name: 3-[(3-chloro-4-hydroxy-phenyl)methylamino]propanenitrile 3-[(3-chloro-4-hydroxy-phenyl)me…
| 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) | 1.34 | 2.09 | -9.43 | 2 | 3 | 0 | 56 | 210.664 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 2.86 | -44.2 | 1 | 3 | -1 | 59 | 209.656 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 3.45 | -60.64 | 3 | 3 | 1 | 61 | 211.672 | 4 | ↓ |
