| 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]-propyl-amino]-N-methyl-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) | 2.85 | 5.05 | -127.63 | 5 | 4 | 2 | 61 | 319.902 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 3.33 | -56.78 | 4 | 4 | 1 | 60 | 318.894 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 3.13 | -8.07 | 3 | 4 | 0 | 58 | 317.886 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.85 | 4.76 | -39.24 | 4 | 4 | 1 | 60 | 318.894 | 8 | ↓ |
