| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: 4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]benzene-1,3-diol 4-[[3-(4-methylpiperazin-1-yl)pr…
| 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) | 1.13 | 1.21 | -91.49 | 5 | 5 | 2 | 65 | 281.4 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | -0.47 | -36.47 | 3 | 5 | 0 | 66 | 279.384 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 1.08 | -110.2 | 5 | 5 | 2 | 65 | 281.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | -1.26 | -44.41 | 4 | 5 | 1 | 64 | 280.392 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
