In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2004 | 29 | 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) | 5.79 | 12.26 | -11.69 | 1 | 5 | 0 | 65 | 435.973 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.97 | 10.4 | -45.2 | 0 | 5 | -1 | 71 | 434.965 | 6 | ↓ |