| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: 2-[[(1R)-2-amino-1-(5-bromo-2-thienyl)ethyl]-isopropyl-amino]acetamide 2-[[(1R)-2-amino-1-(5-bromo-2-th…
| 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) | 0.97 | 0.23 | -47.16 | 5 | 4 | 1 | 74 | 321.264 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | -0.62 | -7.42 | 4 | 4 | 0 | 72 | 320.256 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 1.14 | -31.04 | 5 | 4 | 1 | 74 | 321.264 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.97 | 1.5 | -124.54 | 6 | 4 | 2 | 75 | 322.272 | 6 | ↓ |
