| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 21 | Yes |
Popular Name: N-[[5-[(isopropylamino)methyl]-2-methyl-3-furyl]methyl]-N,1-dimethyl-piperidin-4-amine N-[[5-[(isopropylamino)methyl]-2…
| 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) | 1.80 | 9.59 | -167.32 | 4 | 4 | 3 | 39 | 296.479 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 7.19 | -91.56 | 3 | 4 | 2 | 37 | 295.471 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 7.12 | -79.34 | 3 | 4 | 2 | 37 | 295.471 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
