| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 17 | Yes |
Popular Name: [5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-furyl]methanamine [5-methyl-4-[(4-methyl-1,4-diaze…
| 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) | 0.49 | 5.94 | -177.77 | 5 | 4 | 3 | 50 | 240.371 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 3.93 | -94.85 | 4 | 4 | 2 | 48 | 239.363 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 3.91 | -85.44 | 4 | 4 | 2 | 48 | 239.363 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 1.94 | -43.91 | 3 | 4 | 1 | 47 | 238.355 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
