| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 13 | Yes |
Popular Name: (2S)-3-[[(2R)-3-amino-2-hydroxy-propyl]-ethyl-amino]-2-methyl-propanenitrile (2S)-3-[[(2R)-3-amino-2-hydroxy-…
| 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) | -0.59 | 1.48 | -51.77 | 4 | 4 | 1 | 79 | 186.279 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.59 | -1.47 | -6.57 | 3 | 4 | 0 | 73 | 185.271 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | -1.01 | -50.19 | 4 | 4 | 1 | 75 | 186.279 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | 0.93 | -118.6 | 5 | 4 | 2 | 76 | 187.287 | 6 | ↓ |
