| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: 2-[[(2S)-3-amino-2-methyl-propyl]-methyl-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) | -0.86 | 2.49 | -93.58 | 4 | 5 | 2 | 56 | 244.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.86 | 1.74 | -39.1 | 3 | 5 | 1 | 54 | 243.375 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.86 | 0.14 | -48.71 | 3 | 5 | 1 | 54 | 243.375 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.86 | 4.47 | -174 | 5 | 5 | 3 | 57 | 245.391 | 5 | ↓ |
