| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1R)-2-amino-1-(3-methyl-2-thienyl)ethyl]-isobutyl-amino]acetamide 2-[[(1R)-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) | 0.86 | 1.49 | -38.19 | 5 | 4 | 1 | 74 | 270.422 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 1.04 | -6.78 | 4 | 4 | 0 | 72 | 269.414 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 2.11 | -31.53 | 5 | 4 | 1 | 74 | 270.422 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.86 | 2.68 | -110.56 | 6 | 4 | 2 | 75 | 271.43 | 7 | ↓ |
