| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]benzonitrile 3-[[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) | 1.42 | 7.23 | -101.36 | 3 | 4 | 2 | 48 | 274.412 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 7.1 | -121.94 | 3 | 4 | 2 | 48 | 274.412 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.76 | -53.19 | 2 | 4 | 1 | 47 | 273.404 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
