| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-furyl]methyl]ethanamine N-[[2-[(4-methyl-1,4-diazepan-1-…
| 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) | 1.02 | 6.68 | -90.12 | 3 | 4 | 2 | 37 | 253.39 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 5.93 | -106.12 | 3 | 4 | 2 | 37 | 253.39 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.02 | 8.1 | -200.65 | 4 | 4 | 3 | 39 | 254.398 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
