In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2008 | 32 | 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) | 6.60 | 11.79 | -20.54 | 2 | 5 | 0 | 75 | 463.628 | 7 | ↓ |
Hi High (pH 8-9.5) | 7.06 | 10.56 | -55.96 | 1 | 5 | -1 | 78 | 462.62 | 7 | ↓ |