| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 27 | Yes |
Popular Name: (3S)-3-methyl-3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]isochroman-1-one (3S)-3-methyl-3-[4-(4-pyridylmet…
| 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) | 1.55 | 7.49 | -13.11 | 0 | 6 | 0 | 63 | 365.433 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.55 | 9.68 | -50.19 | 1 | 6 | 1 | 64 | 366.441 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]isochroman-1-one](http://zinc12.docking.org/img/rings/411811.gif)