In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2010 | 36 | No |
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) | 6.05 | 14.46 | -180.09 | 0 | 6 | -3 | 120 | 499.668 | 6 | ↓ |
Lo Low (pH 4.5-6) | 6.05 | 12.61 | -108.7 | 1 | 6 | -2 | 118 | 500.676 | 6 | ↓ |