| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 24 | Yes |
Popular Name: (3S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-1-oxo-isochromane-3-carboxamide (3S)-N-[2-[(6-methylpyridazin-3-…
| 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) | 0.98 | 6.04 | -51.37 | 3 | 7 | 1 | 94 | 327.364 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 5.93 | -26.52 | 2 | 7 | 0 | 93 | 326.356 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 6.1 | -51.77 | 3 | 7 | 1 | 94 | 327.364 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-keto-N-[2-(pyridazin-3-ylamino)ethyl]isochroman-3-carboxamide](http://zinc12.docking.org/img/rings/485047.gif)