| 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]-methyl-amino]-N-(2-methoxyethyl)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) | 1.96 | 3.85 | -127.75 | 5 | 5 | 2 | 70 | 335.901 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 1.81 | -8.01 | 3 | 5 | 0 | 68 | 333.885 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 3.52 | -38.1 | 4 | 5 | 1 | 69 | 334.893 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 2.21 | -55.33 | 4 | 5 | 1 | 69 | 334.893 | 9 | ↓ |
