| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 13 | Yes |
Popular Name: 3-[[(2S)-3-(ethylamino)-2-hydroxy-propyl]-methyl-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) | -1.03 | -0.06 | -43.11 | 3 | 4 | 1 | 64 | 186.279 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.03 | -1.43 | -6.83 | 2 | 4 | 0 | 59 | 185.271 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.03 | 2.36 | -114.09 | 4 | 4 | 2 | 65 | 187.287 | 7 | ↓ |
