| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(3-methyl-2-thienyl)propyl]-ethyl-amino]-N-isopropyl-acetamide 2-[[(1S,2R)-2-amino-1-(3-methyl-…
| 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) | 2.06 | 3.46 | -42.3 | 4 | 4 | 1 | 60 | 298.476 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 3.13 | -5.52 | 3 | 4 | 0 | 58 | 297.468 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 4.5 | -29.2 | 4 | 4 | 1 | 60 | 298.476 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 4.8 | -115.45 | 5 | 4 | 2 | 61 | 299.484 | 7 | ↓ |
