| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 16 | Yes |
Popular Name: 3-[[(2S)-3-(ethylamino)-2-hydroxy-propyl]-isobutyl-amino]propanenitrile 3-[[(2S)-3-(ethylamino)-2-hydrox…
| 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) | 0.09 | 1.77 | -43.61 | 3 | 4 | 1 | 64 | 228.36 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | 0.41 | -6.12 | 2 | 4 | 0 | 59 | 227.352 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.09 | 4.51 | -114.94 | 4 | 4 | 2 | 65 | 229.368 | 9 | ↓ |
