| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: N-[[3-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-furyl]methyl]propan-1-amine N-[[3-methyl-5-[(4-methyl-1,4-di…
| 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) | 2.21 | 9.34 | -176.02 | 4 | 4 | 3 | 39 | 282.452 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 7.24 | -81.25 | 3 | 4 | 2 | 37 | 281.444 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 6.99 | -88.48 | 3 | 4 | 2 | 37 | 281.444 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
