| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 25 | Yes |
Popular Name: (3S)-1-oxo-N-(6-pyrrolidin-1-yl-3-pyridyl)isochroman-3-carboxamide (3S)-1-oxo-N-(6-pyrrolidin-1-yl-…
| 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) | 2.33 | 7.93 | -21.48 | 1 | 6 | 0 | 72 | 337.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 8.16 | -51.5 | 2 | 6 | 1 | 73 | 338.387 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
