In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 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) | 3.97 | 11.92 | -95.53 | 4 | 5 | 2 | 50 | 471.089 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.97 | 9.81 | -51.67 | 3 | 5 | 1 | 49 | 470.081 | 9 | ↓ |