| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 23 | Yes |
Popular Name: [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium [2-keto-2-[[(1R)-1-phenylethyl]a…
| 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) | 3.74 | 10.49 | -45.94 | 2 | 3 | 1 | 34 | 329.489 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 8.25 | -10.14 | 1 | 3 | 0 | 32 | 328.481 | 7 | ↓ |
