| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 25 | Yes |
Popular Name: 2-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]chromen-4-one 2-[(3S)-3-(2-methylimidazol-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) | 1.65 | 9.54 | -39.39 | 1 | 6 | 1 | 70 | 338.387 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 9.07 | -16.18 | 0 | 6 | 0 | 68 | 337.379 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
