| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 21 | Yes |
Popular Name: 4-amino-4-methyl-1-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-1-yl]pentan-1-one 4-amino-4-methyl-1-[4-[[(2S)-tet…
| 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) | 0.96 | 5.72 | -87.72 | 4 | 5 | 2 | 62 | 299.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 3.83 | -44.9 | 3 | 5 | 1 | 60 | 298.451 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
