In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 31 | Yes |
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) | 4.79 | 8.98 | -28.66 | 1 | 7 | 0 | 92 | 497.429 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.97 | 7.6 | -63.63 | 0 | 7 | -1 | 99 | 496.421 | 5 | ↓ |