| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 21 | Yes |
Popular Name: 2-chloro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol 2-chloro-4-[[[2-methyl-2-(4-meth…
| 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) | 2.61 | 2.74 | -45.91 | 3 | 4 | 1 | 43 | 312.865 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 5.87 | -102.04 | 3 | 4 | 1 | 47 | 312.865 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 3.51 | -59.4 | 2 | 4 | 0 | 46 | 311.857 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 4.66 | -123.91 | 4 | 4 | 2 | 45 | 313.873 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 3.35 | -32.72 | 3 | 4 | 1 | 40 | 312.865 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.61 | 5.1 | -101.03 | 4 | 4 | 2 | 45 | 313.873 | 5 | ↓ |
