| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-bromo-2-thienyl)propyl]-propyl-amino]-N-methyl-acetamide 2-[[(1S,2R)-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) | 2.45 | 2.67 | -56.85 | 4 | 4 | 1 | 60 | 349.318 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 2.31 | -8.33 | 3 | 4 | 0 | 58 | 348.31 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 4.03 | -36.64 | 4 | 4 | 1 | 60 | 349.318 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 4.33 | -128.16 | 5 | 4 | 2 | 61 | 350.326 | 7 | ↓ |
