| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: 3-[[(2S)-3-(cyclopropylamino)-2-hydroxy-propyl]-ethyl-amino]propanenitrile 3-[[(2S)-3-(cyclopropylamino)-2-…
| 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) | -0.32 | 1.3 | -41.98 | 3 | 4 | 1 | 64 | 212.317 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 4.29 | -48.76 | 3 | 4 | 1 | 68 | 212.317 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 3.76 | -116.95 | 4 | 4 | 2 | 65 | 213.325 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 1.83 | -28.61 | 2 | 4 | 0 | 67 | 211.309 | 8 | ↓ |
