| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(5-chloro-2-thienyl)butyl]-methyl-amino]acetamide 2-[[(1R,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) | 1.10 | 2.68 | -116.5 | 6 | 4 | 2 | 75 | 277.821 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 0.16 | -6.17 | 4 | 4 | 0 | 72 | 275.805 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 2.25 | -37.12 | 5 | 4 | 1 | 74 | 276.813 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 0.47 | -49.64 | 5 | 4 | 1 | 74 | 276.813 | 6 | ↓ |
