| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(3-methyl-2-thienyl)propyl]-butyl-amino]acetamide 2-[[(1R,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) | 1.58 | 1.29 | -46.75 | 5 | 4 | 1 | 74 | 284.449 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 2.9 | -29.06 | 5 | 4 | 1 | 74 | 284.449 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 0.97 | -8.99 | 4 | 4 | 0 | 72 | 283.441 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 3.2 | -109.96 | 6 | 4 | 2 | 75 | 285.457 | 8 | ↓ |
