| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 12 | Yes |
Popular Name: (2R)-1-amino-3-[methyl-[(1S)-1-methylbutyl]amino]propan-2-ol (2R)-1-amino-3-[methyl-[(1S)-1-m…
| 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) | 0.27 | 1 | -100.93 | 5 | 3 | 2 | 52 | 176.304 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.27 | 1.55 | -43.6 | 4 | 3 | 1 | 55 | 175.296 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 0.54 | -32.17 | 4 | 3 | 1 | 51 | 175.296 | 6 | ↓ |
