| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 21 | Yes |
Popular Name: 4-methyl-2-[(1S)-1-[3-(4-methylpiperazin-1-yl)propylamino]ethyl]phenol 4-methyl-2-[(1S)-1-[3-(4-methylp…
| 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 | 5.32 | -91.05 | 4 | 4 | 2 | 45 | 293.455 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 5.22 | -112.09 | 4 | 4 | 2 | 45 | 293.455 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 2.95 | -42.46 | 3 | 4 | 1 | 43 | 292.447 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
