| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 2-[[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]-ethyl-amino]-N-isopropyl-acetamide 2-[[(1R,2S)-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) | 3.02 | 5.9 | -120.29 | 5 | 4 | 2 | 61 | 333.929 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 4.31 | -44.94 | 4 | 4 | 1 | 60 | 332.921 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 3.98 | -5.32 | 3 | 4 | 0 | 58 | 331.913 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 5.57 | -33.68 | 4 | 4 | 1 | 60 | 332.921 | 8 | ↓ |
