| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: [(2S,4R)-2-methyl-4-(4-methylpiperazin-1-yl)tetrahydropyran-4-yl]methanamine [(2S,4R)-2-methyl-4-(4-methylpip…
| 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) | -0.15 | 2.37 | -107.68 | 4 | 4 | 2 | 45 | 229.368 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 0.04 | -2.42 | 2 | 4 | 0 | 42 | 227.352 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 0 | -46.4 | 3 | 4 | 1 | 43 | 228.36 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
