| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: 2-[[(1R,2S)-2-amino-1-(3-methyl-2-thienyl)propyl]-isopropyl-amino]ethanol 2-[[(1R,2S)-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) | 1.45 | 2.62 | -26.29 | 4 | 3 | 1 | 51 | 257.423 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | -0.2 | -2.75 | 3 | 3 | 0 | 49 | 256.415 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 0.61 | -37.71 | 4 | 3 | 1 | 51 | 257.423 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.45 | 2.35 | -107.42 | 5 | 3 | 2 | 52 | 258.431 | 6 | ↓ |
