| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: 3-[ethyl-[(2S)-2-hydroxy-3-(isopropylamino)propyl]amino]propanenitrile 3-[ethyl-[(2S)-2-hydroxy-3-(isop…
| 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) | -0.01 | 1.08 | -41.88 | 3 | 4 | 1 | 64 | 214.333 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 4.08 | -48.27 | 3 | 4 | 1 | 68 | 214.333 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 3.56 | -116.69 | 4 | 4 | 2 | 65 | 215.341 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 1.63 | -28.33 | 2 | 4 | 0 | 67 | 213.325 | 8 | ↓ |
