In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 30 | Yes |
None
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) | 5.27 | 9.97 | -53.95 | 3 | 4 | 1 | 55 | 426.964 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.27 | 8.71 | -8.37 | 2 | 4 | 0 | 51 | 425.956 | 10 | ↓ |