In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 25th, 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) | 8.40 | 17.73 | -51.63 | 0 | 3 | -1 | 49 | 423.617 | 16 | ↓ |
Lo Low (pH 4.5-6) | 8.40 | 16.61 | -10.57 | 1 | 3 | 0 | 47 | 424.625 | 16 | ↓ |