| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 21 | Yes |
Popular Name: (2S)-2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]-N,N-diethyl-propanamide (2S)-2-[(3-bromo-4-hydroxy-5-met…
| 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) | 2.23 | 3.68 | -11.31 | 2 | 5 | 0 | 62 | 359.264 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 4.57 | -51.83 | 1 | 5 | -1 | 65 | 358.256 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 5.81 | -64.65 | 2 | 5 | 0 | 69 | 359.264 | 7 | ↓ |
