| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2011 | 20 | Yes |
Popular Name: (2S)-2-amino-3-[butyl-[(1S)-1-methylpropyl]amino]-2-phenyl-propan-1-ol (2S)-2-amino-3-[butyl-[(1S)-1-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) | 3.42 | 5.54 | -32.71 | 4 | 3 | 1 | 51 | 279.448 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 4.56 | -39.07 | 4 | 3 | 1 | 51 | 279.448 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 4.12 | -2.5 | 3 | 3 | 0 | 49 | 278.44 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.42 | 5.79 | -118.34 | 5 | 3 | 2 | 52 | 280.456 | 9 | ↓ |
