| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 26 | Yes |
Popular Name: (3S)-3-[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]isochroman-1-one (3S)-3-[(2R)-2-(1-methylpyrrol-2…
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| 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) | 3.32 | 12 | -18 | 0 | 5 | 0 | 52 | 352.434 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(1H-pyrrol-2-yl)azepane-1-carbonyl]isochroman-1-one](http://zinc12.docking.org/img/rings/538251.gif)