| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 21 | Yes |
Popular Name: 3-[[[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]methyl]phenol 3-[[[(2S)-2-(dimethylamino)-2-(4…
| 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) | 2.77 | 6.01 | -48.75 | 3 | 3 | 1 | 37 | 289.374 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 3.92 | -7.74 | 2 | 3 | 0 | 35 | 288.366 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 5.31 | -46.82 | 3 | 3 | 1 | 40 | 289.374 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 7.32 | -135.07 | 4 | 3 | 2 | 41 | 290.382 | 6 | ↓ |
