| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-[[(2S,5R)-5-[(4-methyl-1,4-diazepan-1-yl)methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5R)-5-[(4-methyl-1,4-dia…
| 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) | 0.68 | 7.14 | -178.97 | 4 | 4 | 3 | 35 | 258.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 2.78 | -33.2 | 2 | 4 | 1 | 32 | 256.414 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 5.26 | -81.82 | 3 | 4 | 2 | 34 | 257.422 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
