| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | Yes |
Popular Name: 3-[[(2S)-2-hydroxy-3-(propylamino)propyl]-isobutyl-amino]propanenitrile 3-[[(2S)-2-hydroxy-3-(propylamin…
| 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) | 0.59 | 3.79 | -45.09 | 3 | 4 | 1 | 64 | 242.387 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 2.45 | -5.79 | 2 | 4 | 0 | 59 | 241.379 | 10 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 5.27 | -116.87 | 4 | 4 | 2 | 65 | 243.395 | 10 | ↓ |
