| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | Yes |
Popular Name: (1S,2R,4S)-4-(1,1-dimethylpropyl)-2-(4-methylpiperazin-1-yl)cyclohexanamine (1S,2R,4S)-4-(1,1-dimethylpropyl…
| 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) | 2.17 | 5.92 | -100.55 | 4 | 3 | 2 | 35 | 269.477 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 3.53 | -42.43 | 3 | 3 | 1 | 34 | 268.469 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 5.2 | -120.64 | 4 | 3 | 2 | 35 | 269.477 | 3 | ↓ |
