| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 19 | Yes |
Popular Name: 5-hydroxy-2-[[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]methyl]pyran-4-one 5-hydroxy-2-[[(2R)-2-[2-(methyla…
| 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) | 0.53 | 3.48 | -84.68 | 2 | 5 | 0 | 73 | 266.341 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 2.61 | -55.41 | 3 | 5 | 1 | 70 | 267.349 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 5.63 | -132.1 | 3 | 5 | 1 | 74 | 267.349 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 4.76 | -126.25 | 4 | 5 | 2 | 71 | 268.357 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
