| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 15 | Yes |
Popular Name: 3-[[(2S)-2-hydroxy-3-(methylamino)propyl]-isobutyl-amino]propanenitrile 3-[[(2S)-2-hydroxy-3-(methylamin…
None
| 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) | 0.06 | 4.18 | -49.83 | 3 | 4 | 1 | 68 | 214.333 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 0.29 | -6.35 | 2 | 4 | 0 | 59 | 213.325 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 2.17 | -44.47 | 3 | 4 | 1 | 64 | 214.333 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 3.63 | -114.06 | 4 | 4 | 2 | 65 | 215.341 | 8 | ↓ |
