| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 12 | Yes |
Popular Name: 3-[[(2S)-2-hydroxy-3-methylamino-propyl]-methyl-amino]propanenitrile 3-[[(2S)-2-hydroxy-3-methylamino…
| 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) | -1.06 | -0.73 | -42.43 | 3 | 4 | 1 | 64 | 172.252 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.06 | -2.23 | -7.69 | 2 | 4 | 0 | 59 | 171.244 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.06 | 1.82 | -116.58 | 4 | 4 | 2 | 65 | 173.26 | 6 | ↓ |
