| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 21 | Yes |
Popular Name: N-methyl-1-[5-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3-furyl]methanamine N-methyl-1-[5-[[4-(2-pyridyl)pip…
| 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) | 1.18 | 7.89 | -98.91 | 3 | 5 | 2 | 50 | 288.395 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 5.66 | -44.32 | 2 | 5 | 1 | 49 | 287.387 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 5.97 | -79.41 | 3 | 5 | 2 | 50 | 288.395 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | 8.2 | -164.43 | 4 | 5 | 3 | 52 | 289.403 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
