In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2010 | 37 | 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) | 4.61 | 11.09 | -105.4 | 3 | 7 | 2 | 83 | 518.013 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.61 | 9.06 | -36.29 | 2 | 7 | 1 | 82 | 517.005 | 5 | ↓ |