| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 13 | Yes |
Popular Name: 3-[ethyl-[(2S)-2-hydroxy-3-(methylamino)propyl]amino]propanenitrile 3-[ethyl-[(2S)-2-hydroxy-3-(meth…
| 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) | -0.68 | -0.28 | -43.6 | 3 | 4 | 1 | 64 | 186.279 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.68 | -1.78 | -6.9 | 2 | 4 | 0 | 59 | 185.271 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.68 | 2.71 | -50.27 | 3 | 4 | 1 | 68 | 186.279 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.68 | 0.25 | -31.28 | 2 | 4 | 0 | 67 | 185.271 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.68 | 2.18 | -115.86 | 4 | 4 | 2 | 65 | 187.287 | 7 | ↓ |
