| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: 2-[[(2S)-3-amino-2-methyl-propyl]-ethyl-amino]-1-(4-methylpiperazin-1-yl)ethanone 2-[[(2S)-3-amino-2-methyl-propyl…
| 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) | -0.49 | 3.53 | -100.06 | 4 | 5 | 2 | 56 | 258.41 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 2.41 | -37.01 | 3 | 5 | 1 | 54 | 257.402 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.49 | 1.17 | -51.84 | 3 | 5 | 1 | 54 | 257.402 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.49 | 5.13 | -182.49 | 5 | 5 | 3 | 57 | 259.418 | 6 | ↓ |
