| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 25 | Yes |
Popular Name: (3R)-3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]-3-methyl-isochroman-1-one (3R)-3-[(3S)-3-imidazol-1-ylpipe…
| 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) | 1.62 | 10.84 | -37.72 | 1 | 6 | 1 | 66 | 340.403 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 10.13 | -12.88 | 0 | 6 | 0 | 64 | 339.395 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
