| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (2R)-3-[ethyl-[(2S)-2-hydroxy-3-(propylamino)propyl]amino]-2-methyl-propanenitrile (2R)-3-[ethyl-[(2S)-2-hydroxy-3-…
| 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) | 0.92 | 2.59 | -44.01 | 3 | 4 | 1 | 64 | 228.36 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 1.25 | -5.3 | 2 | 4 | 0 | 59 | 227.352 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 4.44 | -113.5 | 4 | 4 | 2 | 65 | 229.368 | 9 | ↓ |
