In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 24 | Yes |
Popular Name: 3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-furo[2,3-d]pyrimidine-5-carboxamide 3,6-dimethyl-N-[2-(4-methylpiper…
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) | -0.56 | 2.67 | -52.23 | 2 | 8 | 1 | 85 | 334.4 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.56 | 0.29 | -21.55 | 1 | 8 | 0 | 84 | 333.392 | 4 | ↓ |