| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 13 | Yes |
Popular Name: (2S)-3-[[(2R)-2-hydroxy-3-(methylamino)propyl]-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[(2R)-2-hydroxy-3-(methy…
| 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) | 0.01 | -0.08 | -41.94 | 3 | 4 | 1 | 64 | 186.279 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.01 | -1.53 | -7.92 | 2 | 4 | 0 | 59 | 185.271 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 2.55 | -54.61 | 3 | 4 | 1 | 68 | 186.279 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.01 | 2.02 | -107.33 | 4 | 4 | 2 | 65 | 187.287 | 6 | ↓ |
