| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2009 | 16 | Yes |
Popular Name: 2-[[(1S)-1-(hydroxymethyl)propyl]amino]-1-(4-methylpiperazin-1-yl)ethanone 2-[[(1S)-1-(hydroxymethyl)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) | -0.43 | -0.46 | -39.54 | 3 | 5 | 1 | 60 | 230.332 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | -1.88 | -9.81 | 2 | 5 | 0 | 56 | 229.324 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 1.89 | -96.13 | 4 | 5 | 2 | 62 | 231.34 | 5 | ↓ |
