| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(3-methyl-2-thienyl)propyl]-ethyl-amino]-N,N-dimethyl-acetamide 2-[[(1S,2R)-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) | 0.69 | 3.63 | -52.84 | 3 | 4 | 1 | 51 | 284.449 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 3.29 | -8.51 | 2 | 4 | 0 | 50 | 283.441 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 5.5 | -28.31 | 3 | 4 | 1 | 51 | 284.449 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 5.28 | -117.24 | 4 | 4 | 2 | 52 | 285.457 | 6 | ↓ |
