| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 20 | Yes |
Popular Name: (2S)-2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]-N-propyl-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) | 2.12 | 1.64 | -10.82 | 3 | 5 | 0 | 71 | 345.237 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 2.55 | -51.29 | 2 | 5 | -1 | 73 | 344.229 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 3.81 | -65.71 | 3 | 5 | 0 | 78 | 345.237 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 2.89 | -50.42 | 4 | 5 | 1 | 75 | 346.245 | 7 | ↓ |
