| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 14 | Yes |
Popular Name: 3-[ethyl-[(2S)-3-(ethylamino)-2-hydroxy-propyl]amino]propanenitrile 3-[ethyl-[(2S)-3-(ethylamino)-2-…
| 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) | -0.66 | 0.87 | -45.62 | 3 | 4 | 1 | 64 | 200.306 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | -0.5 | -7.22 | 2 | 4 | 0 | 59 | 199.298 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 3.03 | -116.79 | 4 | 4 | 2 | 65 | 201.314 | 8 | ↓ |
