In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 33 | 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) | 3.52 | 10.97 | -23.15 | 1 | 9 | 0 | 104 | 490.655 | 12 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 9.76 | -55.38 | 0 | 9 | -1 | 110 | 489.647 | 12 | ↓ |