In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 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) | 5.25 | 10.15 | -14.76 | 2 | 7 | 0 | 88 | 519.96 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.25 | 10.99 | -37.64 | 1 | 7 | -1 | 91 | 518.952 | 8 | ↓ |