| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 21 | Yes |
Popular Name: 4-chloro-2-[[[(1S,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methylamino]methyl]phenol 4-chloro-2-[[[(1S,3S)-1-(dimethy…
| 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) | 4.10 | 7.79 | -115.66 | 4 | 3 | 2 | 41 | 312.885 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 7.01 | -28.04 | 2 | 3 | 0 | 43 | 310.869 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 6.68 | -35.16 | 3 | 3 | 1 | 37 | 311.877 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 6.25 | -41.45 | 3 | 3 | 1 | 40 | 311.877 | 5 | ↓ |
