| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 21 | Yes |
Popular Name: 2-[[[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methyl]phenol 2-[[[(2S)-3-methyl-2-(4-methylpi…
| 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) | 2.47 | 2.88 | -37.76 | 3 | 4 | 1 | 43 | 292.447 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 3.64 | -30.57 | 2 | 4 | 0 | 46 | 291.439 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 3.15 | -31.17 | 3 | 4 | 1 | 40 | 292.447 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 5.27 | -93.84 | 4 | 4 | 2 | 45 | 293.455 | 6 | ↓ |
