In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 13 | 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) | -0.25 | 2.24 | -50.51 | 3 | 5 | 0 | 86 | 188.227 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.25 | 0.89 | -46.77 | 2 | 5 | -1 | 81 | 187.219 | 7 | ↓ |