| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | Yes |
Popular Name: 1-[(2R,5S)-5-methylpiperazine-2-carbonyl]-1,4-diazepan-5-one 1-[(2R,5S)-5-methylpiperazine-2-…
| 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) | -1.35 | -1.94 | -50.5 | 4 | 6 | 1 | 78 | 241.315 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.35 | -3.24 | -10.51 | 3 | 6 | 0 | 73 | 240.307 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
