| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1R,2S)-2-amino-1-(3-methyl-2-thienyl)butyl]-ethyl-amino]-N,N-dimethyl-acetamide 2-[[(1R,2S)-2-amino-1-(3-methyl-…
| 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) | 1.23 | 6.04 | -107.26 | 4 | 4 | 2 | 52 | 299.484 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 4.45 | -41 | 3 | 4 | 1 | 51 | 298.476 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 4.06 | -5.82 | 2 | 4 | 0 | 50 | 297.468 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 5.77 | -32.13 | 3 | 4 | 1 | 51 | 298.476 | 7 | ↓ |
