| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-chloro-2-thienyl)butyl]-ethyl-amino]-N,N-dimethyl-acetamide 2-[[(1S,2R)-2-amino-1-(5-chloro-…
| 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) | 1.65 | 6.23 | -126.27 | 4 | 4 | 2 | 52 | 319.902 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 4.53 | -37.74 | 3 | 4 | 1 | 51 | 318.894 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 4.2 | -6.47 | 2 | 4 | 0 | 50 | 317.886 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 5.89 | -35.7 | 3 | 4 | 1 | 51 | 318.894 | 7 | ↓ |
