In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 31 | 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) | 4.32 | 8.57 | -11.92 | 1 | 7 | 0 | 93 | 499.342 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.32 | 9.49 | -52.82 | 0 | 7 | -1 | 96 | 498.334 | 3 | ↓ |