In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2005 | 25 | No |
Popular Name: Cc1c(c(=O)n([nH]1)c2ccc(cc2)[N+](=O)[O-])C=NC(CO)(CO)CO Cc1c(c(=O)n([nH]1)c2ccc(cc2)[N+]…
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) | -0.79 | -2.68 | -29.25 | 4 | 10 | 0 | 157 | 350.331 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.79 | -1.86 | -49.87 | 5 | 10 | 1 | 158 | 351.339 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.79 | -0.06 | -53.45 | 5 | 10 | 1 | 158 | 351.339 | 7 | ↓ |