| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (2S)-1-[[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-methyl-amino]-3-methoxy-propan-2-ol (2S)-1-[[(1R,2R)-2-amino-1-(5-br…
| 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) | 1.84 | 3.39 | -123.71 | 5 | 4 | 2 | 62 | 353.326 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 0.96 | -5.6 | 3 | 4 | 0 | 59 | 351.31 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 3.05 | -40.79 | 4 | 4 | 1 | 60 | 352.318 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 1.35 | -42.3 | 4 | 4 | 1 | 60 | 352.318 | 8 | ↓ |
