| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-methyl-2-thienyl)butyl]-propyl-amino]ethanol 2-[[(1S,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) | 2.03 | 3.99 | -28.14 | 4 | 3 | 1 | 51 | 271.45 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 2.26 | -36.69 | 4 | 3 | 1 | 51 | 271.45 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 2.47 | -3.37 | 3 | 3 | 0 | 49 | 270.442 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 4.31 | -106.83 | 5 | 3 | 2 | 52 | 272.458 | 8 | ↓ |
