| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | No |
Popular Name: 4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]benzene-1,2-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) | 0.72 | 2.01 | -99.05 | 5 | 5 | 2 | 65 | 281.4 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 0.34 | -75.53 | 3 | 5 | 0 | 66 | 279.384 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 0.49 | -56.66 | 3 | 5 | 0 | 66 | 279.384 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 1.88 | -119.04 | 5 | 5 | 2 | 65 | 281.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | -0.46 | -51.22 | 4 | 5 | 1 | 64 | 280.392 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
