| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(5-methyl-2-thienyl)butyl]-butyl-amino]ethanol 2-[[(1R,2R)-2-amino-1-(5-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) | 2.59 | 4.58 | -28.85 | 4 | 3 | 1 | 51 | 285.477 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 3.27 | -39.67 | 4 | 3 | 1 | 51 | 285.477 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 2.95 | -3.03 | 3 | 3 | 0 | 49 | 284.469 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 4.87 | -104.57 | 5 | 3 | 2 | 52 | 286.485 | 9 | ↓ |
