| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 19 | Yes |
Popular Name: 4-chloro-2-[[[(2S)-2-dimethylamino-4-methyl-pentyl]amino]methyl]phenol 4-chloro-2-[[[(2S)-2-dimethylami…
| 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) | 3.76 | 4.77 | -42.13 | 3 | 3 | 1 | 40 | 285.839 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 5.55 | -29.27 | 2 | 3 | 0 | 43 | 284.831 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 6.12 | -47.43 | 2 | 3 | 0 | 40 | 284.831 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 5.52 | -37.9 | 3 | 3 | 1 | 37 | 285.839 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 6.76 | -119.76 | 4 | 3 | 2 | 41 | 286.847 | 7 | ↓ |
