| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 3-[[(1R,2S)-2-amino-1-(5-bromo-2-thienyl)butyl]-isopropyl-amino]propan-1-ol 3-[[(1R,2S)-2-amino-1-(5-bromo-2…
| 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) | 2.81 | 2.65 | -45.12 | 4 | 3 | 1 | 51 | 350.346 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 2.74 | -3.44 | 3 | 3 | 0 | 49 | 349.338 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 3.98 | -33.63 | 4 | 3 | 1 | 51 | 350.346 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 4.28 | -113.49 | 5 | 3 | 2 | 52 | 351.354 | 8 | ↓ |
