In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 21 | Yes |
Popular Name: 1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]quinoxalin-2-one 1-[2-(4-methylpiperazin-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) | 0.49 | 5.98 | -52.7 | 1 | 6 | 1 | 60 | 287.343 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.49 | 3.63 | -15.57 | 0 | 6 | 0 | 58 | 286.335 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.