| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-chloro-2-thienyl)butyl]-methyl-amino]-N,N-diethyl-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) | 2.47 | 7.76 | -129.67 | 4 | 4 | 2 | 52 | 333.929 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 5.78 | -9.33 | 2 | 4 | 0 | 50 | 331.913 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 7.46 | -39.96 | 3 | 4 | 1 | 51 | 332.921 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 6.06 | -56.01 | 3 | 4 | 1 | 51 | 332.921 | 8 | ↓ |
