| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 12 | Yes |
Popular Name: (2S)-1-amino-3-[1-ethylpropyl(methyl)amino]propan-2-ol (2S)-1-amino-3-[1-ethylpropyl(me…
| 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) | 0.25 | 0.69 | -100.1 | 5 | 3 | 2 | 52 | 176.304 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 1.23 | -42.85 | 4 | 3 | 1 | 55 | 175.296 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 0.23 | -31.01 | 4 | 3 | 1 | 51 | 175.296 | 6 | ↓ |
