| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 16 | Yes |
Popular Name: [2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-furyl]methanamine [2-[(4-methyl-1,4-diazepan-1-yl)…
| 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) | 0.27 | 3.47 | -102.23 | 4 | 4 | 2 | 48 | 225.336 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.27 | 2.6 | -30.63 | 3 | 4 | 1 | 47 | 224.328 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.27 | 3.02 | -110.72 | 4 | 4 | 2 | 48 | 225.336 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.27 | 5.33 | -210.05 | 5 | 4 | 3 | 50 | 226.344 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
