| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 14 | Yes |
Popular Name: 3-[[(2S)-3-amino-2-hydroxy-propyl]-isobutyl-amino]propanenitrile 3-[[(2S)-3-amino-2-hydroxy-propy…
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) | -0.92 | 1.6 | -53.48 | 4 | 4 | 1 | 79 | 200.306 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.92 | -0.24 | -6.39 | 3 | 4 | 0 | 73 | 199.298 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.92 | 0.23 | -48 | 4 | 4 | 1 | 75 | 200.306 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.92 | 1.06 | -118.92 | 5 | 4 | 2 | 76 | 201.314 | 7 | ↓ |
