| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | Yes |
Popular Name: (4-methyl-1,4-diazepan-1-yl)-[(2R,5S)-5-methylpiperazin-2-yl]methanone (4-methyl-1,4-diazepan-1-yl)-[(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) | -0.43 | 2.44 | -90.97 | 4 | 5 | 2 | 53 | 242.367 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | -0.56 | -5.4 | 2 | 5 | 0 | 48 | 240.351 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 1.16 | -39.83 | 3 | 5 | 1 | 49 | 241.359 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
