| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(3-methyl-2-thienyl)ethyl]-ethyl-amino]-N,N-dimethyl-acetamide 2-[[(1S)-2-amino-1-(3-methyl-2-t…
| 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) | 0.29 | 3.13 | -45.51 | 3 | 4 | 1 | 51 | 270.422 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.29 | 2.4 | -8.03 | 2 | 4 | 0 | 50 | 269.414 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.29 | 5.02 | -28.76 | 3 | 4 | 1 | 51 | 270.422 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.29 | 4.59 | -118.74 | 4 | 4 | 2 | 52 | 271.43 | 6 | ↓ |
