| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 20 | Yes |
Popular Name: 2-[[(1R,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]-1-(4-methylpiperazin-1-yl)ethanone 2-[[(1R,3S)-1-(hydroxymethyl)-3-…
| 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) | 0.69 | 3.74 | -96.04 | 4 | 5 | 2 | 62 | 285.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 0.2 | -8.99 | 2 | 5 | 0 | 56 | 283.416 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 1.38 | -37.45 | 3 | 5 | 1 | 60 | 284.424 | 4 | ↓ |
