In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 20 | 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) | 3.02 | 8.23 | -100.88 | 1 | 5 | -2 | 92 | 269.256 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.02 | 6.25 | -51.81 | 2 | 5 | -1 | 89 | 270.264 | 5 | ↓ |