| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: N-[[2-[(isopropylamino)methyl]-3-furyl]methyl]-N,1-dimethyl-piperidin-4-amine N-[[2-[(isopropylamino)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) | 1.58 | 8.77 | -192.95 | 4 | 4 | 3 | 39 | 282.452 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 6.37 | -103.04 | 3 | 4 | 2 | 37 | 281.444 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 6.27 | -85.88 | 3 | 4 | 2 | 37 | 281.444 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
