| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 21 | Yes |
Popular Name: [2-methyl-5-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3-furyl]methanamine [2-methyl-5-[[4-(2-pyridyl)piper…
| 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) | 1.02 | 6.96 | -102.13 | 4 | 5 | 2 | 61 | 288.395 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 4.31 | -7.37 | 2 | 5 | 0 | 59 | 286.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 4.71 | -48.22 | 3 | 5 | 1 | 60 | 287.387 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 5.03 | -82.43 | 4 | 5 | 2 | 61 | 288.395 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.02 | 7.26 | -166.16 | 5 | 5 | 3 | 63 | 289.403 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
