| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | Yes |
Popular Name: [(2R,3S)-2-(2-furyl)-1-methyl-3-piperidyl]methanamine [(2R,3S)-2-(2-furyl)-1-methyl-3-…
| 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) | 0.76 | 4.17 | -97.84 | 4 | 3 | 2 | 45 | 196.294 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 1.86 | -43.92 | 3 | 3 | 1 | 44 | 195.286 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 3.79 | -31.75 | 3 | 3 | 1 | 44 | 195.286 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
