| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 16 | Yes |
Popular Name: [(2R,5S)-5-[(4-methyl-1,4-diazepan-1-yl)methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[(4-methyl-1,4-diazep…
| 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) | -0.33 | 4.48 | -184.43 | 5 | 4 | 3 | 46 | 230.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.33 | 0.03 | -38.01 | 3 | 4 | 1 | 43 | 228.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.33 | 2.21 | -88.03 | 4 | 4 | 2 | 45 | 229.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
