| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1R)-2-amino-1-(3-methyl-2-thienyl)ethyl]-(1-ethylpropyl)amino]ethanol 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) | 2.12 | 2.81 | -24.63 | 4 | 3 | 1 | 51 | 271.45 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 2.36 | -2.48 | 3 | 3 | 0 | 49 | 270.442 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 2.79 | -44.28 | 4 | 3 | 1 | 51 | 271.45 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.12 | 3.2 | -107.6 | 5 | 3 | 2 | 52 | 272.458 | 8 | ↓ |
