| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 2-methyl-2-(methylamino)-1-[4-(4-pyridylmethyl)piperazin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[4-(4…
| 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) | 0.26 | 3.15 | -46.44 | 2 | 5 | 1 | 53 | 277.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 3.08 | -8.73 | 1 | 5 | 0 | 48 | 276.384 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.26 | 5.19 | -99.59 | 3 | 5 | 2 | 54 | 278.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
